N,N-bis[3-(dimethylamino)propyl]-3,3-diphenylpropanamide;3,3-diphenylpropanoic acid

C40H51N3O3 — CID 159974476

IUPACN,N-bis[3-(dimethylamino)propyl]-3,3-diphenylpropanamide;3,3-diphenylpropanoic acid
SMILESCN(C)CCCN(CCCN(C)C)C(=O)CC(c1ccccc1)c1ccccc1.O=C(O)CC(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H37N3O.C15H14O2/c1-26(2)17-11-19-28(20-12-18-27(3)4)25(29)21-24(22-13-7-5-8-14-22)23-15-9-6-10-16-23;16-15(17)11-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h5-10,13-16,24H,11-12,17-21H2,1-4H3;1-10,14H,11H2,(H,16,17)
InChIKeyOEYWSQDJWFFNDA-UHFFFAOYSA-N
MW621.87 g/mol
LogP7.23
Rot. Bonds16

About N,N-bis[3-(dimethylamino)propyl]-3,3-diphenylpropanamide;3,3-diphenylpropanoic acid

N,N-bis[3-(dimethylamino)propyl]-3,3-diphenylpropanamide;3,3-diphenylpropanoic acid (PubChem CID 159974476) has the molecular formula C40H51N3O3 and a molecular weight of 621.87 g/mol. Its IUPAC name is N,N-bis[3-(dimethylamino)propyl]-3,3-diphenylpropanamide;3,3-diphenylpropanoic acid.

Molecular Properties

Compound NameN,N-bis[3-(dimethylamino)propyl]-3,3-diphenylpropanamide;3,3-diphenylpropanoic acid
PubChem CID159974476
Molecular FormulaC40H51N3O3
Molecular Weight621.87 g/mol
Exact Mass621.39
IUPAC NameN,N-bis[3-(dimethylamino)propyl]-3,3-diphenylpropanamide;3,3-diphenylpropanoic acid
SMILESCN(C)CCCN(CCCN(C)C)C(=O)CC(c1ccccc1)c1ccccc1.O=C(O)CC(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H37N3O.C15H14O2/c1-26(2)17-11-19-28(20-12-18-27(3)4)25(29)21-24(22-13-7-5-8-14-22)23-15-9-6-10-16-23;16-15(17)11-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h5-10,13-16,24H,11-12,17-21H2,1-4H3;1-10,14H,11H2,(H,16,17)
InChIKeyOEYWSQDJWFFNDA-UHFFFAOYSA-N
XLogP7.23
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500621.87
LogP ≤ 57.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylamino)ethyl]-3,3-diphenylpropanamide
CID 2184828
N-[2-[acetyl-[3-(dimethylamino)propyl]amino]ethyl]-2,2-diphenylacetamide
CID 113053769
2-chloro-N-[3-(dimethylamino)propyl]-N-(2-methoxyethyl)-2-phenylacetamide
CID 60949486
3-amino-N-(2-methoxyethyl)-N-(3-methoxypropyl)-3-phenylpropanamide
CID 60980754
3-[2-(dimethylamino)ethylcarbamoylamino]-3-phenylpropanoic acid
CID 61188146
3-(3,4-dimethylphenyl)-3-phenylpropanoic acid
CID 166063960
3-[2,2-diphenylethyl(methyl)amino]propanoic acid
CID 107292983
3-[3-(dimethylamino)propyl-(2-phenylethyl)amino]propanoic acid
CID 82330379
3-[N-[3-(dimethylamino)propyl]anilino]propanoic acid
CID 82319994
3-(2,6-dimethoxyphenyl)-3-phenylpropanoic acid
CID 175042356
3-phenyl-3-(4-propan-2-yloxyphenyl)propanoic acid
CID 2939109
2-chloro-N,N-bis[3-(dimethylamino)propyl]acetamide
CID 60809657

Frequently Asked Questions

What is the IUPAC name of N,N-bis[3-(dimethylamino)propyl]-3,3-diphenylpropanamide;3,3-diphenylpropanoic acid?
The IUPAC name of N,N-bis[3-(dimethylamino)propyl]-3,3-diphenylpropanamide;3,3-diphenylpropanoic acid (CID 159974476) is N,N-bis[3-(dimethylamino)propyl]-3,3-diphenylpropanamide;3,3-diphenylpropanoic acid.
What is the SMILES notation for N,N-bis[3-(dimethylamino)propyl]-3,3-diphenylpropanamide;3,3-diphenylpropanoic acid?
The canonical SMILES for N,N-bis[3-(dimethylamino)propyl]-3,3-diphenylpropanamide;3,3-diphenylpropanoic acid is CN(C)CCCN(CCCN(C)C)C(=O)CC(c1ccccc1)c1ccccc1.O=C(O)CC(c1ccccc1)c1ccccc1.
What is the InChIKey of N,N-bis[3-(dimethylamino)propyl]-3,3-diphenylpropanamide;3,3-diphenylpropanoic acid?
The InChIKey is OEYWSQDJWFFNDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37N3O.C15H14O2/c1-26(2)17-11-19-28(20-12-18-27(3)4)25(29)21-24(22-13-7-5-8-14-22)23-15-9-6-10-16-23;16-15(17)11-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h5-10,13-16,24H,11-12,17-21H2,1-4H3;1-10,14H,11H2,(H,16,17).
What are the key properties of N,N-bis[3-(dimethylamino)propyl]-3,3-diphenylpropanamide;3,3-diphenylpropanoic acid?
N,N-bis[3-(dimethylamino)propyl]-3,3-diphenylpropanamide;3,3-diphenylpropanoic acid has a molecular weight of 621.87 g/mol, XLogP of 7.23, 16 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[3-(dimethylamino)propyl]-3,3-diphenylpropanamide;3,3-diphenylpropanoic acid is sourced from PubChem (CID 159974476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).