N,N-bis[2-(dimethylamino)ethyl]-3,3-diphenylpropanamide;N-[2-(dimethylamino)ethyl]-N',N'-dimethylethane-1,2-diamine;N'-[2-(dimethylamino)ethyl]-N'-(3,3-diphenylpropyl)-N,N-dimethylethane-1,2-diamine;2-[2-[dimethyl(oxido)azaniumyl]ethyl-(3,3-diphenylpropanoyl)amino]-N,N-dimethylethanamine oxide;N'-[2-[dimethyl(oxido)azaniumyl]ethyl]-N'-(3,3-diphenylpropyl)-N,N-dimethylethane-1,2-diamine oxide;3,3-diphenylpropanoic acid

C115H171N15O9 — CID 159659444

IUPACN,N-bis[2-(dimethylamino)ethyl]-3,3-diphenylpropanamide;N-[2-(dimethylamino)ethyl]-N',N'-dimethylethane-1,2-diamine;N'-[2-(dimethylamino)ethyl]-N'-(3,3-diphenylpropyl)-N,N-dimethylethane-1,2-diamine;2-[2-[dimethyl(oxido)azaniumyl]ethyl-(3,3-diphenylpropanoyl)amino]-N,N-dimethylethanamine oxide;N'-[2-[dimethyl(oxido)azaniumyl]ethyl]-N'-(3,3-diphenylpropyl)-N,N-dimethylethane-1,2-diamine oxide;3,3-diphenylpropanoic acid
SMILESCN(C)CCN(CCC(c1ccccc1)c1ccccc1)CCN(C)C.CN(C)CCN(CCN(C)C)C(=O)CC(c1ccccc1)c1ccccc1.CN(C)CCNCCN(C)C.C[N+](C)([O-])CCN(CC[N+](C)(C)[O-])C(=O)CC(c1ccccc1)c1ccccc1.C[N+](C)([O-])CC[N+]([O-])(CCC(c1ccccc1)c1ccccc1)CC[N+](C)(C)[O-].O=C(O)CC(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H33N3O3.C23H35N3O3.C23H33N3O.C23H35N3.C15H14O2.C8H21N3/c1-25(2,28)17-15-24(16-18-26(3,4)29)23(27)19-22(20-11-7-5-8-12-20)21-13-9-6-10-14-21;1-24(2,27)17-19-26(29,20-18-25(3,4)28)16-15-23(21-11-7-5-8-12-21)22-13-9-6-10-14-22;1-24(2)15-17-26(18-16-25(3)4)23(27)19-22(20-11-7-5-8-12-20)21-13-9-6-10-14-21;1-24(2)17-19-26(20-18-25(3)4)16-15-23(21-11-7-5-8-12-21)22-13-9-6-10-14-22;16-15(17)11-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13;1-10(2)7-5-9-6-8-11(3)4/h5-14,22H,15-19H2,1-4H3;5-14,23H,15-20H2,1-4H3;5-14,22H,15-19H2,1-4H3;5-14,23H,15-20H2,1-4H3;1-10,14H,11H2,(H,16,17);9H,5-8H2,1-4H3
InChIKeyMSPNOPDDCOMPPF-UHFFFAOYSA-N
MW1907.73 g/mol
LogP16.64
Rot. Bonds52

About N,N-bis[2-(dimethylamino)ethyl]-3,3-diphenylpropanamide;N-[2-(dimethylamino)ethyl]-N',N'-dimethylethane-1,2-diamine;N'-[2-(dimethylamino)ethyl]-N'-(3,3-diphenylpropyl)-N,N-dimethylethane-1,2-diamine;2-[2-[dimethyl(oxido)azaniumyl]ethyl-(3,3-diphenylpropanoyl)amino]-N,N-dimethylethanamine oxide;N'-[2-[dimethyl(oxido)azaniumyl]ethyl]-N'-(3,3-diphenylpropyl)-N,N-dimethylethane-1,2-diamine oxide;3,3-diphenylpropanoic acid

N,N-bis[2-(dimethylamino)ethyl]-3,3-diphenylpropanamide;N-[2-(dimethylamino)ethyl]-N',N'-dimethylethane-1,2-diamine;N'-[2-(dimethylamino)ethyl]-N'-(3,3-diphenylpropyl)-N,N-dimethylethane-1,2-diamine;2-[2-[dimethyl(oxido)azaniumyl]ethyl-(3,3-diphenylpropanoyl)amino]-N,N-dimethylethanamine oxide;N'-[2-[dimethyl(oxido)azaniumyl]ethyl]-N'-(3,3-diphenylpropyl)-N,N-dimethylethane-1,2-diamine oxide;3,3-diphenylpropanoic acid (PubChem CID 159659444) has the molecular formula C115H171N15O9 and a molecular weight of 1907.73 g/mol. Its IUPAC name is N,N-bis[2-(dimethylamino)ethyl]-3,3-diphenylpropanamide;N-[2-(dimethylamino)ethyl]-N',N'-dimethylethane-1,2-diamine;N'-[2-(dimethylamino)ethyl]-N'-(3,3-diphenylpropyl)-N,N-dimethylethane-1,2-diamine;2-[2-[dimethyl(oxido)azaniumyl]ethyl-(3,3-diphenylpropanoyl)amino]-N,N-dimethylethanamine oxide;N'-[2-[dimethyl(oxido)azaniumyl]ethyl]-N'-(3,3-diphenylpropyl)-N,N-dimethylethane-1,2-diamine oxide;3,3-diphenylpropanoic acid.

Molecular Properties

Compound NameN,N-bis[2-(dimethylamino)ethyl]-3,3-diphenylpropanamide;N-[2-(dimethylamino)ethyl]-N',N'-dimethylethane-1,2-diamine;N'-[2-(dimethylamino)ethyl]-N'-(3,3-diphenylpropyl)-N,N-dimethylethane-1,2-diamine;2-[2-[dimethyl(oxido)azaniumyl]ethyl-(3,3-diphenylpropanoyl)amino]-N,N-dimethylethanamine oxide;N'-[2-[dimethyl(oxido)azaniumyl]ethyl]-N'-(3,3-diphenylpropyl)-N,N-dimethylethane-1,2-diamine oxide;3,3-diphenylpropanoic acid
PubChem CID159659444
Molecular FormulaC115H171N15O9
Molecular Weight1907.73 g/mol
Exact Mass1906.34
IUPAC NameN,N-bis[2-(dimethylamino)ethyl]-3,3-diphenylpropanamide;N-[2-(dimethylamino)ethyl]-N',N'-dimethylethane-1,2-diamine;N'-[2-(dimethylamino)ethyl]-N'-(3,3-diphenylpropyl)-N,N-dimethylethane-1,2-diamine;2-[2-[dimethyl(oxido)azaniumyl]ethyl-(3,3-diphenylpropanoyl)amino]-N,N-dimethylethanamine oxide;N'-[2-[dimethyl(oxido)azaniumyl]ethyl]-N'-(3,3-diphenylpropyl)-N,N-dimethylethane-1,2-diamine oxide;3,3-diphenylpropanoic acid
SMILESCN(C)CCN(CCC(c1ccccc1)c1ccccc1)CCN(C)C.CN(C)CCN(CCN(C)C)C(=O)CC(c1ccccc1)c1ccccc1.CN(C)CCNCCN(C)C.C[N+](C)([O-])CCN(CC[N+](C)(C)[O-])C(=O)CC(c1ccccc1)c1ccccc1.C[N+](C)([O-])CC[N+]([O-])(CCC(c1ccccc1)c1ccccc1)CC[N+](C)(C)[O-].O=C(O)CC(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H33N3O3.C23H35N3O3.C23H33N3O.C23H35N3.C15H14O2.C8H21N3/c1-25(2,28)17-15-24(16-18-26(3,4)29)23(27)19-22(20-11-7-5-8-12-20)21-13-9-6-10-14-21;1-24(2,27)17-19-26(29,20-18-25(3,4)28)16-15-23(21-11-7-5-8-12-21)22-13-9-6-10-14-22;1-24(2)15-17-26(18-16-25(3)4)23(27)19-22(20-11-7-5-8-12-20)21-13-9-6-10-14-21;1-24(2)17-19-26(20-18-25(3)4)16-15-23(21-11-7-5-8-12-21)22-13-9-6-10-14-22;16-15(17)11-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13;1-10(2)7-5-9-6-8-11(3)4/h5-14,22H,15-19H2,1-4H3;5-14,23H,15-20H2,1-4H3;5-14,22H,15-19H2,1-4H3;5-14,23H,15-20H2,1-4H3;1-10,14H,11H2,(H,16,17);9H,5-8H2,1-4H3
InChIKeyMSPNOPDDCOMPPF-UHFFFAOYSA-N
XLogP16.64
TPSA227.93 Ų
H-Bond Donors2
H-Bond Acceptors16
Rotatable Bonds52
Heavy Atoms139
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001907.73
LogP ≤ 516.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze N,N-bis[2-(dimethylamino)ethyl]-3,3-diphenylpropanamide;N-[2-(dimethylamino)ethyl]-N',N'-dimethylethane-1,2-diamine;N'-[2-(dimethylamino)ethyl]-N'-(3,3-diphenylpropyl)-N,N-dimethylethane-1,2-diamine;2-[2-[dimethyl(oxido)azaniumyl]ethyl-(3,3-diphenylpropanoyl)amino]-N,N-dimethylethanamine oxide;N'-[2-[dimethyl(oxido)azaniumyl]ethyl]-N'-(3,3-diphenylpropyl)-N,N-dimethylethane-1,2-diamine oxide;3,3-diphenylpropanoic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of N,N-bis[2-(dimethylamino)ethyl]-3,3-diphenylpropanamide;N-[2-(dimethylamino)ethyl]-N',N'-dimethylethane-1,2-diamine;N'-[2-(dimethylamino)ethyl]-N'-(3,3-diphenylpropyl)-N,N-dimethylethane-1,2-diamine;2-[2-[dimethyl(oxido)azaniumyl]ethyl-(3,3-diphenylpropanoyl)amino]-N,N-dimethylethanamine oxide;N'-[2-[dimethyl(oxido)azaniumyl]ethyl]-N'-(3,3-diphenylpropyl)-N,N-dimethylethane-1,2-diamine oxide;3,3-diphenylpropanoic acid?
The IUPAC name of N,N-bis[2-(dimethylamino)ethyl]-3,3-diphenylpropanamide;N-[2-(dimethylamino)ethyl]-N',N'-dimethylethane-1,2-diamine;N'-[2-(dimethylamino)ethyl]-N'-(3,3-diphenylpropyl)-N,N-dimethylethane-1,2-diamine;2-[2-[dimethyl(oxido)azaniumyl]ethyl-(3,3-diphenylpropanoyl)amino]-N,N-dimethylethanamine oxide;N'-[2-[dimethyl(oxido)azaniumyl]ethyl]-N'-(3,3-diphenylpropyl)-N,N-dimethylethane-1,2-diamine oxide;3,3-diphenylpropanoic acid (CID 159659444) is N,N-bis[2-(dimethylamino)ethyl]-3,3-diphenylpropanamide;N-[2-(dimethylamino)ethyl]-N',N'-dimethylethane-1,2-diamine;N'-[2-(dimethylamino)ethyl]-N'-(3,3-diphenylpropyl)-N,N-dimethylethane-1,2-diamine;2-[2-[dimethyl(oxido)azaniumyl]ethyl-(3,3-diphenylpropanoyl)amino]-N,N-dimethylethanamine oxide;N'-[2-[dimethyl(oxido)azaniumyl]ethyl]-N'-(3,3-diphenylpropyl)-N,N-dimethylethane-1,2-diamine oxide;3,3-diphenylpropanoic acid.
What is the SMILES notation for N,N-bis[2-(dimethylamino)ethyl]-3,3-diphenylpropanamide;N-[2-(dimethylamino)ethyl]-N',N'-dimethylethane-1,2-diamine;N'-[2-(dimethylamino)ethyl]-N'-(3,3-diphenylpropyl)-N,N-dimethylethane-1,2-diamine;2-[2-[dimethyl(oxido)azaniumyl]ethyl-(3,3-diphenylpropanoyl)amino]-N,N-dimethylethanamine oxide;N'-[2-[dimethyl(oxido)azaniumyl]ethyl]-N'-(3,3-diphenylpropyl)-N,N-dimethylethane-1,2-diamine oxide;3,3-diphenylpropanoic acid?
The canonical SMILES for N,N-bis[2-(dimethylamino)ethyl]-3,3-diphenylpropanamide;N-[2-(dimethylamino)ethyl]-N',N'-dimethylethane-1,2-diamine;N'-[2-(dimethylamino)ethyl]-N'-(3,3-diphenylpropyl)-N,N-dimethylethane-1,2-diamine;2-[2-[dimethyl(oxido)azaniumyl]ethyl-(3,3-diphenylpropanoyl)amino]-N,N-dimethylethanamine oxide;N'-[2-[dimethyl(oxido)azaniumyl]ethyl]-N'-(3,3-diphenylpropyl)-N,N-dimethylethane-1,2-diamine oxide;3,3-diphenylpropanoic acid is CN(C)CCN(CCC(c1ccccc1)c1ccccc1)CCN(C)C.CN(C)CCN(CCN(C)C)C(=O)CC(c1ccccc1)c1ccccc1.CN(C)CCNCCN(C)C.C[N+](C)([O-])CCN(CC[N+](C)(C)[O-])C(=O)CC(c1ccccc1)c1ccccc1.C[N+](C)([O-])CC[N+]([O-])(CCC(c1ccccc1)c1ccccc1)CC[N+](C)(C)[O-].O=C(O)CC(c1ccccc1)c1ccccc1.
What is the InChIKey of N,N-bis[2-(dimethylamino)ethyl]-3,3-diphenylpropanamide;N-[2-(dimethylamino)ethyl]-N',N'-dimethylethane-1,2-diamine;N'-[2-(dimethylamino)ethyl]-N'-(3,3-diphenylpropyl)-N,N-dimethylethane-1,2-diamine;2-[2-[dimethyl(oxido)azaniumyl]ethyl-(3,3-diphenylpropanoyl)amino]-N,N-dimethylethanamine oxide;N'-[2-[dimethyl(oxido)azaniumyl]ethyl]-N'-(3,3-diphenylpropyl)-N,N-dimethylethane-1,2-diamine oxide;3,3-diphenylpropanoic acid?
The InChIKey is MSPNOPDDCOMPPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O3.C23H35N3O3.C23H33N3O.C23H35N3.C15H14O2.C8H21N3/c1-25(2,28)17-15-24(16-18-26(3,4)29)23(27)19-22(20-11-7-5-8-12-20)21-13-9-6-10-14-21;1-24(2,27)17-19-26(29,20-18-25(3,4)28)16-15-23(21-11-7-5-8-12-21)22-13-9-6-10-14-22;1-24(2)15-17-26(18-16-25(3)4)23(27)19-22(20-11-7-5-8-12-20)21-13-9-6-10-14-21;1-24(2)17-19-26(20-18-25(3)4)16-15-23(21-11-7-5-8-12-21)22-13-9-6-10-14-22;16-15(17)11-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13;1-10(2)7-5-9-6-8-11(3)4/h5-14,22H,15-19H2,1-4H3;5-14,23H,15-20H2,1-4H3;5-14,22H,15-19H2,1-4H3;5-14,23H,15-20H2,1-4H3;1-10,14H,11H2,(H,16,17);9H,5-8H2,1-4H3.
What are the key properties of N,N-bis[2-(dimethylamino)ethyl]-3,3-diphenylpropanamide;N-[2-(dimethylamino)ethyl]-N',N'-dimethylethane-1,2-diamine;N'-[2-(dimethylamino)ethyl]-N'-(3,3-diphenylpropyl)-N,N-dimethylethane-1,2-diamine;2-[2-[dimethyl(oxido)azaniumyl]ethyl-(3,3-diphenylpropanoyl)amino]-N,N-dimethylethanamine oxide;N'-[2-[dimethyl(oxido)azaniumyl]ethyl]-N'-(3,3-diphenylpropyl)-N,N-dimethylethane-1,2-diamine oxide;3,3-diphenylpropanoic acid?
N,N-bis[2-(dimethylamino)ethyl]-3,3-diphenylpropanamide;N-[2-(dimethylamino)ethyl]-N',N'-dimethylethane-1,2-diamine;N'-[2-(dimethylamino)ethyl]-N'-(3,3-diphenylpropyl)-N,N-dimethylethane-1,2-diamine;2-[2-[dimethyl(oxido)azaniumyl]ethyl-(3,3-diphenylpropanoyl)amino]-N,N-dimethylethanamine oxide;N'-[2-[dimethyl(oxido)azaniumyl]ethyl]-N'-(3,3-diphenylpropyl)-N,N-dimethylethane-1,2-diamine oxide;3,3-diphenylpropanoic acid has a molecular weight of 1907.73 g/mol, XLogP of 16.64, 52 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[2-(dimethylamino)ethyl]-3,3-diphenylpropanamide;N-[2-(dimethylamino)ethyl]-N',N'-dimethylethane-1,2-diamine;N'-[2-(dimethylamino)ethyl]-N'-(3,3-diphenylpropyl)-N,N-dimethylethane-1,2-diamine;2-[2-[dimethyl(oxido)azaniumyl]ethyl-(3,3-diphenylpropanoyl)amino]-N,N-dimethylethanamine oxide;N'-[2-[dimethyl(oxido)azaniumyl]ethyl]-N'-(3,3-diphenylpropyl)-N,N-dimethylethane-1,2-diamine oxide;3,3-diphenylpropanoic acid is sourced from PubChem (CID 159659444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).