2-(benzhydrylamino)-N-[(3,4-dimethoxyphenyl)methyl]propanamide

C25H28N2O3 — CID 46631034

IUPAC2-(benzhydrylamino)-N-[(3,4-dimethoxyphenyl)methyl]propanamide
SMILESCOc1ccc(CNC(=O)C(C)NC(c2ccccc2)c2ccccc2)cc1OC
InChIInChI=1S/C25H28N2O3/c1-18(25(28)26-17-19-14-15-22(29-2)23(16-19)30-3)27-24(20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-16,18,24,27H,17H2,1-3H3,(H,26,28)
InChIKeyQTAZYSKPOQHOMX-UHFFFAOYSA-N
MW404.51 g/mol
LogP4.09
Rot. Bonds9

About 2-(benzhydrylamino)-N-[(3,4-dimethoxyphenyl)methyl]propanamide

2-(benzhydrylamino)-N-[(3,4-dimethoxyphenyl)methyl]propanamide (PubChem CID 46631034) has the molecular formula C25H28N2O3 and a molecular weight of 404.51 g/mol. Its IUPAC name is 2-(benzhydrylamino)-N-[(3,4-dimethoxyphenyl)methyl]propanamide.

Molecular Properties

Compound Name2-(benzhydrylamino)-N-[(3,4-dimethoxyphenyl)methyl]propanamide
PubChem CID46631034
Molecular FormulaC25H28N2O3
Molecular Weight404.51 g/mol
Exact Mass404.21
IUPAC Name2-(benzhydrylamino)-N-[(3,4-dimethoxyphenyl)methyl]propanamide
SMILESCOc1ccc(CNC(=O)C(C)NC(c2ccccc2)c2ccccc2)cc1OC
InChIInChI=1S/C25H28N2O3/c1-18(25(28)26-17-19-14-15-22(29-2)23(16-19)30-3)27-24(20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-16,18,24,27H,17H2,1-3H3,(H,26,28)
InChIKeyQTAZYSKPOQHOMX-UHFFFAOYSA-N
XLogP4.09
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(benzhydrylamino)-N-[(2-methoxyphenyl)methyl]propanamide
CID 9445893
N-[(3,4-dimethoxyphenyl)methyl]-2-methyl-3-phenylpropanamide
CID 110355750
2-(benzhydrylamino)-N-[(4-methylphenyl)methyl]propanamide
CID 46631037
(2S)-2-(benzhydrylamino)-N-(3,4-dimethoxyphenyl)propanamide
CID 9445871
(2R)-2-(benzhydrylamino)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 9445831
3-amino-N-[(3,4-dimethoxyphenyl)methyl]-3-phenylpropanamide;hydrochloride
CID 119948750
(2S)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]-N-[(4-methoxyphenyl)methyl]propanamide
CID 8755264
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-phenylpropanamide
CID 22026290
1-[(3,4-dimethoxyphenyl)methyl]-3-(2,2-dimethyl-1-phenylpropyl)urea
CID 55769817
[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] 2,2-diphenylacetate
CID 2520755
(1R)-N-[(3,4-dimethoxyphenyl)methyl]-1-phenylethanamine;2,2,2-trifluoroacetic acid
CID 175721011
N-[(3,4-dimethoxyphenyl)methyl]-2,2-dimethyl-N'-(1-phenylethyl)propanediamide
CID 108962124

Frequently Asked Questions

What is the IUPAC name of 2-(benzhydrylamino)-N-[(3,4-dimethoxyphenyl)methyl]propanamide?
The IUPAC name of 2-(benzhydrylamino)-N-[(3,4-dimethoxyphenyl)methyl]propanamide (CID 46631034) is 2-(benzhydrylamino)-N-[(3,4-dimethoxyphenyl)methyl]propanamide.
What is the SMILES notation for 2-(benzhydrylamino)-N-[(3,4-dimethoxyphenyl)methyl]propanamide?
The canonical SMILES for 2-(benzhydrylamino)-N-[(3,4-dimethoxyphenyl)methyl]propanamide is COc1ccc(CNC(=O)C(C)NC(c2ccccc2)c2ccccc2)cc1OC.
What is the InChIKey of 2-(benzhydrylamino)-N-[(3,4-dimethoxyphenyl)methyl]propanamide?
The InChIKey is QTAZYSKPOQHOMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O3/c1-18(25(28)26-17-19-14-15-22(29-2)23(16-19)30-3)27-24(20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-16,18,24,27H,17H2,1-3H3,(H,26,28).
What are the key properties of 2-(benzhydrylamino)-N-[(3,4-dimethoxyphenyl)methyl]propanamide?
2-(benzhydrylamino)-N-[(3,4-dimethoxyphenyl)methyl]propanamide has a molecular weight of 404.51 g/mol, XLogP of 4.09, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzhydrylamino)-N-[(3,4-dimethoxyphenyl)methyl]propanamide is sourced from PubChem (CID 46631034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).