N-[2-(dimethylamino)-3-phenylpropyl]-3,5-dimethoxy-4-phenylmethoxybenzamide

C27H32N2O4 — CID 55450378

IUPACN-[2-(dimethylamino)-3-phenylpropyl]-3,5-dimethoxy-4-phenylmethoxybenzamide
SMILESCOc1cc(C(=O)NCC(Cc2ccccc2)N(C)C)cc(OC)c1OCc1ccccc1
InChIInChI=1S/C27H32N2O4/c1-29(2)23(15-20-11-7-5-8-12-20)18-28-27(30)22-16-24(31-3)26(25(17-22)32-4)33-19-21-13-9-6-10-14-21/h5-14,16-17,23H,15,18-19H2,1-4H3,(H,28,30)
InChIKeyIAUIMVNDRFRBTG-UHFFFAOYSA-N
MW448.56 g/mol
LogP4.19
Rot. Bonds11

About N-[2-(dimethylamino)-3-phenylpropyl]-3,5-dimethoxy-4-phenylmethoxybenzamide

N-[2-(dimethylamino)-3-phenylpropyl]-3,5-dimethoxy-4-phenylmethoxybenzamide (PubChem CID 55450378) has the molecular formula C27H32N2O4 and a molecular weight of 448.56 g/mol. Its IUPAC name is N-[2-(dimethylamino)-3-phenylpropyl]-3,5-dimethoxy-4-phenylmethoxybenzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-3-phenylpropyl]-3,5-dimethoxy-4-phenylmethoxybenzamide
PubChem CID55450378
Molecular FormulaC27H32N2O4
Molecular Weight448.56 g/mol
Exact Mass448.24
IUPAC NameN-[2-(dimethylamino)-3-phenylpropyl]-3,5-dimethoxy-4-phenylmethoxybenzamide
SMILESCOc1cc(C(=O)NCC(Cc2ccccc2)N(C)C)cc(OC)c1OCc1ccccc1
InChIInChI=1S/C27H32N2O4/c1-29(2)23(15-20-11-7-5-8-12-20)18-28-27(30)22-16-24(31-3)26(25(17-22)32-4)33-19-21-13-9-6-10-14-21/h5-14,16-17,23H,15,18-19H2,1-4H3,(H,28,30)
InChIKeyIAUIMVNDRFRBTG-UHFFFAOYSA-N
XLogP4.19
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.56
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-bromo-N-[2-(dimethylamino)-3-phenylpropyl]-5-methoxy-4-propoxybenzamide
CID 55337317
N-[2-(dimethylamino)-2-oxoethyl]-3,5-dimethoxy-4-phenylmethoxybenzamide
CID 24512905
3,5-dimethoxy-4-phenylmethoxybenzoic acid;N-[2-(dimethylamino)-2-phenylethyl]-3,5-dimethoxy-4-phenylmethoxybenzamide;N,N-dimethyl-1-phenylethane-1,2-diamine;dihydrochloride
CID 159371149
N-[2-(dimethylamino)-3-phenylpropyl]-3-methoxynaphthalene-2-carboxamide
CID 18109898
N-(2-aminoethyl)-3,5-dimethoxy-4-phenylmethoxybenzamide
CID 119384512
2,6-dichloro-N-[2-(dimethylamino)-3-phenylpropyl]pyridine-4-carboxamide
CID 86918031
3-(cyclopentylsulfamoyl)-N-[(2S)-2-(dimethylamino)-3-phenylpropyl]-4-methoxybenzamide
CID 27740220
3,5-dimethoxy-N-[(3-methoxyphenyl)methyl]-4-phenylmethoxybenzamide
CID 9456400
3,5-dimethoxy-N-[2-(4-methoxyphenoxy)ethyl]-4-phenylmethoxybenzamide
CID 41443073
2-chloro-N-[2-(dimethylamino)-3-phenylpropyl]pyridine-4-carboxamide
CID 51111727
N-[(2S)-2-(dimethylamino)-3-phenylpropyl]-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 25466923
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-3,5-dimethoxy-4-phenylmethoxybenzamide
CID 27760684

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-3-phenylpropyl]-3,5-dimethoxy-4-phenylmethoxybenzamide?
The IUPAC name of N-[2-(dimethylamino)-3-phenylpropyl]-3,5-dimethoxy-4-phenylmethoxybenzamide (CID 55450378) is N-[2-(dimethylamino)-3-phenylpropyl]-3,5-dimethoxy-4-phenylmethoxybenzamide.
What is the SMILES notation for N-[2-(dimethylamino)-3-phenylpropyl]-3,5-dimethoxy-4-phenylmethoxybenzamide?
The canonical SMILES for N-[2-(dimethylamino)-3-phenylpropyl]-3,5-dimethoxy-4-phenylmethoxybenzamide is COc1cc(C(=O)NCC(Cc2ccccc2)N(C)C)cc(OC)c1OCc1ccccc1.
What is the InChIKey of N-[2-(dimethylamino)-3-phenylpropyl]-3,5-dimethoxy-4-phenylmethoxybenzamide?
The InChIKey is IAUIMVNDRFRBTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N2O4/c1-29(2)23(15-20-11-7-5-8-12-20)18-28-27(30)22-16-24(31-3)26(25(17-22)32-4)33-19-21-13-9-6-10-14-21/h5-14,16-17,23H,15,18-19H2,1-4H3,(H,28,30).
What are the key properties of N-[2-(dimethylamino)-3-phenylpropyl]-3,5-dimethoxy-4-phenylmethoxybenzamide?
N-[2-(dimethylamino)-3-phenylpropyl]-3,5-dimethoxy-4-phenylmethoxybenzamide has a molecular weight of 448.56 g/mol, XLogP of 4.19, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-3-phenylpropyl]-3,5-dimethoxy-4-phenylmethoxybenzamide is sourced from PubChem (CID 55450378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).