N-[3-[(3-amino-3-phenylpropanoyl)amino]-2-methylphenyl]butanamide

C20H25N3O2 — CID 119950525

IUPACN-[3-[(3-amino-3-phenylpropanoyl)amino]-2-methylphenyl]butanamide
SMILESCCCC(=O)Nc1cccc(NC(=O)CC(N)c2ccccc2)c1C
InChIInChI=1S/C20H25N3O2/c1-3-8-19(24)22-17-11-7-12-18(14(17)2)23-20(25)13-16(21)15-9-5-4-6-10-15/h4-7,9-12,16H,3,8,13,21H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyWSTWFOZLRFCREZ-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.76
Rot. Bonds7

About N-[3-[(3-amino-3-phenylpropanoyl)amino]-2-methylphenyl]butanamide

N-[3-[(3-amino-3-phenylpropanoyl)amino]-2-methylphenyl]butanamide (PubChem CID 119950525) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is N-[3-[(3-amino-3-phenylpropanoyl)amino]-2-methylphenyl]butanamide.

Molecular Properties

Compound NameN-[3-[(3-amino-3-phenylpropanoyl)amino]-2-methylphenyl]butanamide
PubChem CID119950525
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC NameN-[3-[(3-amino-3-phenylpropanoyl)amino]-2-methylphenyl]butanamide
SMILESCCCC(=O)Nc1cccc(NC(=O)CC(N)c2ccccc2)c1C
InChIInChI=1S/C20H25N3O2/c1-3-8-19(24)22-17-11-7-12-18(14(17)2)23-20(25)13-16(21)15-9-5-4-6-10-15/h4-7,9-12,16H,3,8,13,21H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyWSTWFOZLRFCREZ-UHFFFAOYSA-N
XLogP3.76
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-(3-fluoro-2-methylphenyl)-4-phenylbutanamide
CID 63324007
3-amino-N-(2-chlorophenyl)-3-phenylpropanamide
CID 24695343
3-amino-N-(2,4-dimethylphenyl)-3-phenylpropanamide
CID 24693280
N-[3-[(2-amino-2-phenylpropanoyl)amino]-2-methylphenyl]butanamide;hydrochloride
CID 120590106
3-amino-N-(2,6-dimethyl-3-pyridinyl)-3-phenylpropanamide;dihydrochloride
CID 119953282
3-amino-N-(2-fluoro-4-methylphenyl)-3-phenylpropanamide
CID 43114261
3-amino-N-(2-methyl-4-propoxyphenyl)-3-phenylpropanamide
CID 119950312
N-[3-(butanoylamino)-2-methylphenyl]-4-(methylamino)butanamide
CID 119747442
3-amino-N-(2-methoxy-3-pyridinyl)-3-phenylpropanamide
CID 43708900
3-amino-N-[2-(4-ethylpiperazin-1-yl)phenyl]-3-phenylpropanamide
CID 119954238
3-amino-3-phenyl-N-(3-propan-2-ylphenyl)propanamide
CID 43123771
N-[2-[(3-amino-3-phenylpropanoyl)amino]phenyl]pyrrolidine-1-carboxamide
CID 119950213

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3-amino-3-phenylpropanoyl)amino]-2-methylphenyl]butanamide?
The IUPAC name of N-[3-[(3-amino-3-phenylpropanoyl)amino]-2-methylphenyl]butanamide (CID 119950525) is N-[3-[(3-amino-3-phenylpropanoyl)amino]-2-methylphenyl]butanamide.
What is the SMILES notation for N-[3-[(3-amino-3-phenylpropanoyl)amino]-2-methylphenyl]butanamide?
The canonical SMILES for N-[3-[(3-amino-3-phenylpropanoyl)amino]-2-methylphenyl]butanamide is CCCC(=O)Nc1cccc(NC(=O)CC(N)c2ccccc2)c1C.
What is the InChIKey of N-[3-[(3-amino-3-phenylpropanoyl)amino]-2-methylphenyl]butanamide?
The InChIKey is WSTWFOZLRFCREZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-3-8-19(24)22-17-11-7-12-18(14(17)2)23-20(25)13-16(21)15-9-5-4-6-10-15/h4-7,9-12,16H,3,8,13,21H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of N-[3-[(3-amino-3-phenylpropanoyl)amino]-2-methylphenyl]butanamide?
N-[3-[(3-amino-3-phenylpropanoyl)amino]-2-methylphenyl]butanamide has a molecular weight of 339.44 g/mol, XLogP of 3.76, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3-amino-3-phenylpropanoyl)amino]-2-methylphenyl]butanamide is sourced from PubChem (CID 119950525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).