(2S)-2-(benzhydrylamino)-N-(3,4-dimethoxyphenyl)propanamide

C24H26N2O3 — CID 9445871

IUPAC(2S)-2-(benzhydrylamino)-N-(3,4-dimethoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)[C@H](C)NC(c2ccccc2)c2ccccc2)cc1OC
InChIInChI=1S/C24H26N2O3/c1-17(24(27)26-20-14-15-21(28-2)22(16-20)29-3)25-23(18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-17,23,25H,1-3H3,(H,26,27)/t17-/m0/s1
InChIKeyBBWLAIQSHYOFQQ-KRWDZBQOSA-N
MW390.48 g/mol
LogP4.41
Rot. Bonds8

About (2S)-2-(benzhydrylamino)-N-(3,4-dimethoxyphenyl)propanamide

(2S)-2-(benzhydrylamino)-N-(3,4-dimethoxyphenyl)propanamide (PubChem CID 9445871) has the molecular formula C24H26N2O3 and a molecular weight of 390.48 g/mol. Its IUPAC name is (2S)-2-(benzhydrylamino)-N-(3,4-dimethoxyphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(benzhydrylamino)-N-(3,4-dimethoxyphenyl)propanamide
PubChem CID9445871
Molecular FormulaC24H26N2O3
Molecular Weight390.48 g/mol
Exact Mass390.19
IUPAC Name(2S)-2-(benzhydrylamino)-N-(3,4-dimethoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)[C@H](C)NC(c2ccccc2)c2ccccc2)cc1OC
InChIInChI=1S/C24H26N2O3/c1-17(24(27)26-20-14-15-21(28-2)22(16-20)29-3)25-23(18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-17,23,25H,1-3H3,(H,26,27)/t17-/m0/s1
InChIKeyBBWLAIQSHYOFQQ-KRWDZBQOSA-N
XLogP4.41
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(benzhydrylamino)-N-(3-methoxyphenyl)propanamide
CID 8545508
3-amino-N-(3,4-dimethoxyphenyl)-2-methyl-3-phenylpropanamide
CID 119673644
2-amino-N-(3,4-dimethoxyphenyl)-2-phenylacetamide
CID 24703599
2-[1-(3-chlorophenyl)ethylamino]-N-(3,4-dimethoxyphenyl)propanamide
CID 51243795
2-(benzhydrylamino)-N-[(3,4-dimethoxyphenyl)methyl]propanamide
CID 46631034
(2S)-2-(benzenesulfonamido)-N-(3,4-dimethoxyphenyl)propanamide
CID 51432486
4-[[(2R)-2-(benzhydrylamino)propanoyl]amino]benzamide
CID 7971112
(2R)-N-(3,5-dimethoxyphenyl)-2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]propanamide
CID 8001713
(2S)-2-(benzhydrylamino)-N-(3-fluorophenyl)propanamide
CID 9445795
(2S)-N-(4-acetylphenyl)-2-(benzhydrylamino)propanamide
CID 7516109
4-(3,4-dimethoxyanilino)-2,3-dimethyl-4-oxobutanoic acid
CID 103496094
(2S)-N-(2-methoxyphenyl)-2-[[(R)-(4-methoxyphenyl)-phenylmethyl]amino]propanamide
CID 39948957

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(benzhydrylamino)-N-(3,4-dimethoxyphenyl)propanamide?
The IUPAC name of (2S)-2-(benzhydrylamino)-N-(3,4-dimethoxyphenyl)propanamide (CID 9445871) is (2S)-2-(benzhydrylamino)-N-(3,4-dimethoxyphenyl)propanamide.
What is the SMILES notation for (2S)-2-(benzhydrylamino)-N-(3,4-dimethoxyphenyl)propanamide?
The canonical SMILES for (2S)-2-(benzhydrylamino)-N-(3,4-dimethoxyphenyl)propanamide is COc1ccc(NC(=O)[C@H](C)NC(c2ccccc2)c2ccccc2)cc1OC.
What is the InChIKey of (2S)-2-(benzhydrylamino)-N-(3,4-dimethoxyphenyl)propanamide?
The InChIKey is BBWLAIQSHYOFQQ-KRWDZBQOSA-N. The full InChI is InChI=1S/C24H26N2O3/c1-17(24(27)26-20-14-15-21(28-2)22(16-20)29-3)25-23(18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-17,23,25H,1-3H3,(H,26,27)/t17-/m0/s1.
What are the key properties of (2S)-2-(benzhydrylamino)-N-(3,4-dimethoxyphenyl)propanamide?
(2S)-2-(benzhydrylamino)-N-(3,4-dimethoxyphenyl)propanamide has a molecular weight of 390.48 g/mol, XLogP of 4.41, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(benzhydrylamino)-N-(3,4-dimethoxyphenyl)propanamide is sourced from PubChem (CID 9445871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).