(2S)-2-(benzhydrylamino)-N-[(2-methoxyphenyl)methyl]propanamide

C24H26N2O2 — CID 9445893

IUPAC(2S)-2-(benzhydrylamino)-N-[(2-methoxyphenyl)methyl]propanamide
SMILESCOc1ccccc1CNC(=O)[C@H](C)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H26N2O2/c1-18(24(27)25-17-21-15-9-10-16-22(21)28-2)26-23(19-11-5-3-6-12-19)20-13-7-4-8-14-20/h3-16,18,23,26H,17H2,1-2H3,(H,25,27)/t18-/m0/s1
InChIKeyZHCTUPXLRQMBEZ-SFHVURJKSA-N
MW374.48 g/mol
LogP4.08
Rot. Bonds8

About (2S)-2-(benzhydrylamino)-N-[(2-methoxyphenyl)methyl]propanamide

(2S)-2-(benzhydrylamino)-N-[(2-methoxyphenyl)methyl]propanamide (PubChem CID 9445893) has the molecular formula C24H26N2O2 and a molecular weight of 374.48 g/mol. Its IUPAC name is (2S)-2-(benzhydrylamino)-N-[(2-methoxyphenyl)methyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(benzhydrylamino)-N-[(2-methoxyphenyl)methyl]propanamide
PubChem CID9445893
Molecular FormulaC24H26N2O2
Molecular Weight374.48 g/mol
Exact Mass374.20
IUPAC Name(2S)-2-(benzhydrylamino)-N-[(2-methoxyphenyl)methyl]propanamide
SMILESCOc1ccccc1CNC(=O)[C@H](C)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H26N2O2/c1-18(24(27)25-17-21-15-9-10-16-22(21)28-2)26-23(19-11-5-3-6-12-19)20-13-7-4-8-14-20/h3-16,18,23,26H,17H2,1-2H3,(H,25,27)/t18-/m0/s1
InChIKeyZHCTUPXLRQMBEZ-SFHVURJKSA-N
XLogP4.08
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.48
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(benzhydrylamino)-N-[(3,4-dimethoxyphenyl)methyl]propanamide
CID 46631034
N-[1-[(2-methoxyphenyl)methylamino]-1-oxopropan-2-yl]benzamide
CID 18159105
(2S)-2-chloro-N-[(2-methoxyphenyl)methyl]propanamide
CID 9291152
1-[(2-methoxyphenyl)methyl]-3-(2-phenylpropyl)urea
CID 51291119
N-[(2-methoxyphenyl)methyl]-N'-(1-phenylethyl)propanediamide
CID 108945872
3-amino-N-[(2-methoxyphenyl)methyl]-3-phenylpropanamide
CID 24698834
2-hydroxy-N-[(2-methoxyphenyl)methyl]-2-methyl-3-phenylbutanamide
CID 122144681
(2R)-2-(benzhydrylamino)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 9445831
(2R)-2-(4-bromoanilino)-N-[(2-methoxyphenyl)methyl]propanamide
CID 9273864
(2S)-N-[(2-methoxyphenyl)methyl]-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide
CID 9270227
ethyl 2-[(2-methoxyphenyl)methylamino]-2-phenylacetate
CID 91380200
N-(2-methoxyphenyl)-2-[[(4-methoxyphenyl)-phenylmethyl]amino]propanamide
CID 42918152

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(benzhydrylamino)-N-[(2-methoxyphenyl)methyl]propanamide?
The IUPAC name of (2S)-2-(benzhydrylamino)-N-[(2-methoxyphenyl)methyl]propanamide (CID 9445893) is (2S)-2-(benzhydrylamino)-N-[(2-methoxyphenyl)methyl]propanamide.
What is the SMILES notation for (2S)-2-(benzhydrylamino)-N-[(2-methoxyphenyl)methyl]propanamide?
The canonical SMILES for (2S)-2-(benzhydrylamino)-N-[(2-methoxyphenyl)methyl]propanamide is COc1ccccc1CNC(=O)[C@H](C)NC(c1ccccc1)c1ccccc1.
What is the InChIKey of (2S)-2-(benzhydrylamino)-N-[(2-methoxyphenyl)methyl]propanamide?
The InChIKey is ZHCTUPXLRQMBEZ-SFHVURJKSA-N. The full InChI is InChI=1S/C24H26N2O2/c1-18(24(27)25-17-21-15-9-10-16-22(21)28-2)26-23(19-11-5-3-6-12-19)20-13-7-4-8-14-20/h3-16,18,23,26H,17H2,1-2H3,(H,25,27)/t18-/m0/s1.
What are the key properties of (2S)-2-(benzhydrylamino)-N-[(2-methoxyphenyl)methyl]propanamide?
(2S)-2-(benzhydrylamino)-N-[(2-methoxyphenyl)methyl]propanamide has a molecular weight of 374.48 g/mol, XLogP of 4.08, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(benzhydrylamino)-N-[(2-methoxyphenyl)methyl]propanamide is sourced from PubChem (CID 9445893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).