N-(4-methyl-3-oxo-1-phenylpentan-2-yl)-3-phenyl-2-(propan-2-ylamino)propanamide

C24H32N2O2 — CID 171756988

IUPACN-(4-methyl-3-oxo-1-phenylpentan-2-yl)-3-phenyl-2-(propan-2-ylamino)propanamide
SMILESCC(C)NC(Cc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(C)C
InChIInChI=1S/C24H32N2O2/c1-17(2)23(27)21(15-19-11-7-5-8-12-19)26-24(28)22(25-18(3)4)16-20-13-9-6-10-14-20/h5-14,17-18,21-22,25H,15-16H2,1-4H3,(H,26,28)
InChIKeyZIVWVBUZVGZQPE-UHFFFAOYSA-N
MW380.53 g/mol
LogP3.55
Rot. Bonds10

About N-(4-methyl-3-oxo-1-phenylpentan-2-yl)-3-phenyl-2-(propan-2-ylamino)propanamide

N-(4-methyl-3-oxo-1-phenylpentan-2-yl)-3-phenyl-2-(propan-2-ylamino)propanamide (PubChem CID 171756988) has the molecular formula C24H32N2O2 and a molecular weight of 380.53 g/mol. Its IUPAC name is N-(4-methyl-3-oxo-1-phenylpentan-2-yl)-3-phenyl-2-(propan-2-ylamino)propanamide.

Molecular Properties

Compound NameN-(4-methyl-3-oxo-1-phenylpentan-2-yl)-3-phenyl-2-(propan-2-ylamino)propanamide
PubChem CID171756988
Molecular FormulaC24H32N2O2
Molecular Weight380.53 g/mol
Exact Mass380.25
IUPAC NameN-(4-methyl-3-oxo-1-phenylpentan-2-yl)-3-phenyl-2-(propan-2-ylamino)propanamide
SMILESCC(C)NC(Cc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(C)C
InChIInChI=1S/C24H32N2O2/c1-17(2)23(27)21(15-19-11-7-5-8-12-19)26-24(28)22(25-18(3)4)16-20-13-9-6-10-14-20/h5-14,17-18,21-22,25H,15-16H2,1-4H3,(H,26,28)
InChIKeyZIVWVBUZVGZQPE-UHFFFAOYSA-N
XLogP3.55
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.53
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methyl-3-oxo-1-phenylpentan-2-yl)acetamide
CID 19002966
5,5-difluoro-2-oxo-3-[[(2S)-3-phenyl-2-(propan-2-ylamino)propanoyl]amino]pentanoic acid
CID 59990529
4-phenyl-3-(propan-2-ylamino)butan-2-one
CID 70861982
2-(2-methylpropanoylamino)-3-phenylpropanoic acid
CID 11118012
2-[[(2S)-2-aminopropanoyl]amino]-3-phenylpropanoic acid
CID 68969553
2-(2-aminopropanoylamino)-3-phenylpropanoic acid
CID 2080
molecular hydrogen;1-phenyl-2-(propan-2-ylamino)pentan-3-one
CID 176556293
(2S)-3-phenyl-2-[[(2S)-3-phenyl-2-(propanoylamino)propanoyl]amino]propanoic acid
CID 11451475
2-[[(2R)-2-aminopropanoyl]amino]-3-phenylpropanamide
CID 119306654
(2R)-2-[[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-3-methylbutanoic acid
CID 102144078
3-[[(1R)-1-carboxy-2-phenylethyl]amino]-2-methyl-3-oxopropanoic acid
CID 122065103
(2R)-2-[(3-amino-2-methylbutanoyl)amino]-3-phenylpropanoic acid
CID 104902011

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-3-oxo-1-phenylpentan-2-yl)-3-phenyl-2-(propan-2-ylamino)propanamide?
The IUPAC name of N-(4-methyl-3-oxo-1-phenylpentan-2-yl)-3-phenyl-2-(propan-2-ylamino)propanamide (CID 171756988) is N-(4-methyl-3-oxo-1-phenylpentan-2-yl)-3-phenyl-2-(propan-2-ylamino)propanamide.
What is the SMILES notation for N-(4-methyl-3-oxo-1-phenylpentan-2-yl)-3-phenyl-2-(propan-2-ylamino)propanamide?
The canonical SMILES for N-(4-methyl-3-oxo-1-phenylpentan-2-yl)-3-phenyl-2-(propan-2-ylamino)propanamide is CC(C)NC(Cc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(C)C.
What is the InChIKey of N-(4-methyl-3-oxo-1-phenylpentan-2-yl)-3-phenyl-2-(propan-2-ylamino)propanamide?
The InChIKey is ZIVWVBUZVGZQPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O2/c1-17(2)23(27)21(15-19-11-7-5-8-12-19)26-24(28)22(25-18(3)4)16-20-13-9-6-10-14-20/h5-14,17-18,21-22,25H,15-16H2,1-4H3,(H,26,28).
What are the key properties of N-(4-methyl-3-oxo-1-phenylpentan-2-yl)-3-phenyl-2-(propan-2-ylamino)propanamide?
N-(4-methyl-3-oxo-1-phenylpentan-2-yl)-3-phenyl-2-(propan-2-ylamino)propanamide has a molecular weight of 380.53 g/mol, XLogP of 3.55, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-3-oxo-1-phenylpentan-2-yl)-3-phenyl-2-(propan-2-ylamino)propanamide is sourced from PubChem (CID 171756988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).