(2S)-N-benzhydryl-2-(4-propanoylphenoxy)propanamide

C25H25NO3 — CID 8604783

IUPAC(2S)-N-benzhydryl-2-(4-propanoylphenoxy)propanamide
SMILESCCC(=O)c1ccc(O[C@@H](C)C(=O)NC(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C25H25NO3/c1-3-23(27)19-14-16-22(17-15-19)29-18(2)25(28)26-24(20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-18,24H,3H2,1-2H3,(H,26,28)/t18-/m0/s1
InChIKeyHQSHANNFMOONLY-SFHVURJKSA-N
MW387.48 g/mol
LogP4.95
Rot. Bonds8

About (2S)-N-benzhydryl-2-(4-propanoylphenoxy)propanamide

(2S)-N-benzhydryl-2-(4-propanoylphenoxy)propanamide (PubChem CID 8604783) has the molecular formula C25H25NO3 and a molecular weight of 387.48 g/mol. Its IUPAC name is (2S)-N-benzhydryl-2-(4-propanoylphenoxy)propanamide.

Molecular Properties

Compound Name(2S)-N-benzhydryl-2-(4-propanoylphenoxy)propanamide
PubChem CID8604783
Molecular FormulaC25H25NO3
Molecular Weight387.48 g/mol
Exact Mass387.18
IUPAC Name(2S)-N-benzhydryl-2-(4-propanoylphenoxy)propanamide
SMILESCCC(=O)c1ccc(O[C@@H](C)C(=O)NC(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C25H25NO3/c1-3-23(27)19-14-16-22(17-15-19)29-18(2)25(28)26-24(20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-18,24H,3H2,1-2H3,(H,26,28)/t18-/m0/s1
InChIKeyHQSHANNFMOONLY-SFHVURJKSA-N
XLogP4.95
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-N-benzhydryl-2-(4-propanoylphenoxy)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-benzhydryl-2-(4-phenylphenoxy)propanamide
CID 19191531
(2R)-N-benzhydryl-2-(4-bromophenoxy)propanamide
CID 7930955
(2R)-2-(4-methylphenoxy)-N-[(R)-(4-methylphenyl)-phenylmethyl]propanamide
CID 28572884
2-(4-chlorophenoxy)-N-[(4-methylphenyl)-phenylmethyl]propanamide
CID 43877208
(2S)-2-(4-chlorophenoxy)-N-[(R)-(4-methylphenyl)-phenylmethyl]propanamide
CID 28580247
N-benzhydryl-2-(4-chloro-3-methylphenoxy)propanamide
CID 132656978
(2S)-2-(4-tert-butylphenoxy)-N-[(R)-(4-methylphenyl)-phenylmethyl]propanamide
CID 28572482
N-benzhydryl-2-(3-methylphenoxy)propanamide
CID 15978225
(2S)-2-phenoxy-N-[(1S)-1-phenylethyl]propanamide
CID 835918
(2R)-2-(4-benzoylphenoxy)-N-propan-2-ylpropanamide
CID 40747363
4-[1-oxo-1-(pentan-3-ylamino)propan-2-yl]oxybenzoic acid
CID 43113684
1-[4-[anilino(phenyl)methoxy]phenyl]propan-1-one
CID 69042768

Frequently Asked Questions

What is the IUPAC name of (2S)-N-benzhydryl-2-(4-propanoylphenoxy)propanamide?
The IUPAC name of (2S)-N-benzhydryl-2-(4-propanoylphenoxy)propanamide (CID 8604783) is (2S)-N-benzhydryl-2-(4-propanoylphenoxy)propanamide.
What is the SMILES notation for (2S)-N-benzhydryl-2-(4-propanoylphenoxy)propanamide?
The canonical SMILES for (2S)-N-benzhydryl-2-(4-propanoylphenoxy)propanamide is CCC(=O)c1ccc(O[C@@H](C)C(=O)NC(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of (2S)-N-benzhydryl-2-(4-propanoylphenoxy)propanamide?
The InChIKey is HQSHANNFMOONLY-SFHVURJKSA-N. The full InChI is InChI=1S/C25H25NO3/c1-3-23(27)19-14-16-22(17-15-19)29-18(2)25(28)26-24(20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-18,24H,3H2,1-2H3,(H,26,28)/t18-/m0/s1.
What are the key properties of (2S)-N-benzhydryl-2-(4-propanoylphenoxy)propanamide?
(2S)-N-benzhydryl-2-(4-propanoylphenoxy)propanamide has a molecular weight of 387.48 g/mol, XLogP of 4.95, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-benzhydryl-2-(4-propanoylphenoxy)propanamide is sourced from PubChem (CID 8604783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).