N-[3-[(3-acetamido-3-phenylpropanoyl)amino]phenyl]butanamide

C21H25N3O3 — CID 87026147

IUPACN-[3-[(3-acetamido-3-phenylpropanoyl)amino]phenyl]butanamide
SMILESCCCC(=O)Nc1cccc(NC(=O)CC(NC(C)=O)c2ccccc2)c1
InChIInChI=1S/C21H25N3O3/c1-3-8-20(26)23-17-11-7-12-18(13-17)24-21(27)14-19(22-15(2)25)16-9-5-4-6-10-16/h4-7,9-13,19H,3,8,14H2,1-2H3,(H,22,25)(H,23,26)(H,24,27)
InChIKeyXTRFGLKXRQDKSB-UHFFFAOYSA-N
MW367.45 g/mol
LogP3.63
Rot. Bonds8

About N-[3-[(3-acetamido-3-phenylpropanoyl)amino]phenyl]butanamide

N-[3-[(3-acetamido-3-phenylpropanoyl)amino]phenyl]butanamide (PubChem CID 87026147) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is N-[3-[(3-acetamido-3-phenylpropanoyl)amino]phenyl]butanamide.

Molecular Properties

Compound NameN-[3-[(3-acetamido-3-phenylpropanoyl)amino]phenyl]butanamide
PubChem CID87026147
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC NameN-[3-[(3-acetamido-3-phenylpropanoyl)amino]phenyl]butanamide
SMILESCCCC(=O)Nc1cccc(NC(=O)CC(NC(C)=O)c2ccccc2)c1
InChIInChI=1S/C21H25N3O3/c1-3-8-20(26)23-17-11-7-12-18(13-17)24-21(27)14-19(22-15(2)25)16-9-5-4-6-10-16/h4-7,9-13,19H,3,8,14H2,1-2H3,(H,22,25)(H,23,26)(H,24,27)
InChIKeyXTRFGLKXRQDKSB-UHFFFAOYSA-N
XLogP3.63
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-acetamido-N-(3-methylphenyl)-3-phenylpropanamide
CID 8713924
3-acetamido-N-(3-bromophenyl)-3-phenylpropanamide
CID 22107830
N-[4-[[(3-acetamido-3-phenylpropanoyl)amino]methyl]phenyl]butanamide
CID 55781577
ethyl 3-[(3-acetamido-3-phenylpropanoyl)amino]benzoate
CID 55394890
3-acetamido-N-[3-[(dimethylamino)methyl]phenyl]-3-phenylpropanamide
CID 86931913
(3R)-3-acetamido-N-(3,4-dimethylphenyl)-3-phenylpropanamide
CID 8743897
3-acetamido-N-(3,4-dichlorophenyl)-3-phenylpropanamide
CID 24638755
3-acetamido-N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]-3-phenylpropanamide
CID 55888374
(3R)-3-acetamido-N-(4-methylphenyl)-3-phenylpropanamide
CID 2664823
(3R)-3-acetamido-N-(3-chloro-4-methylphenyl)-3-phenylpropanamide
CID 2665891
N-(3-acetamidophenyl)-3,3-diphenylpropanamide
CID 1190632
N-[(1S)-3-(3-acetylanilino)-3-oxo-1-phenylpropyl]benzamide
CID 2464081

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3-acetamido-3-phenylpropanoyl)amino]phenyl]butanamide?
The IUPAC name of N-[3-[(3-acetamido-3-phenylpropanoyl)amino]phenyl]butanamide (CID 87026147) is N-[3-[(3-acetamido-3-phenylpropanoyl)amino]phenyl]butanamide.
What is the SMILES notation for N-[3-[(3-acetamido-3-phenylpropanoyl)amino]phenyl]butanamide?
The canonical SMILES for N-[3-[(3-acetamido-3-phenylpropanoyl)amino]phenyl]butanamide is CCCC(=O)Nc1cccc(NC(=O)CC(NC(C)=O)c2ccccc2)c1.
What is the InChIKey of N-[3-[(3-acetamido-3-phenylpropanoyl)amino]phenyl]butanamide?
The InChIKey is XTRFGLKXRQDKSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-3-8-20(26)23-17-11-7-12-18(13-17)24-21(27)14-19(22-15(2)25)16-9-5-4-6-10-16/h4-7,9-13,19H,3,8,14H2,1-2H3,(H,22,25)(H,23,26)(H,24,27).
What are the key properties of N-[3-[(3-acetamido-3-phenylpropanoyl)amino]phenyl]butanamide?
N-[3-[(3-acetamido-3-phenylpropanoyl)amino]phenyl]butanamide has a molecular weight of 367.45 g/mol, XLogP of 3.63, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3-acetamido-3-phenylpropanoyl)amino]phenyl]butanamide is sourced from PubChem (CID 87026147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).