N-(1-amino-1-oxo-3-phenylpropan-2-yl)-2,3-dimethylpentanamide

C16H24N2O2 — CID 71036532

IUPACN-(1-amino-1-oxo-3-phenylpropan-2-yl)-2,3-dimethylpentanamide
SMILESCCC(C)C(C)C(=O)NC(Cc1ccccc1)C(N)=O
InChIInChI=1S/C16H24N2O2/c1-4-11(2)12(3)16(20)18-14(15(17)19)10-13-8-6-5-7-9-13/h5-9,11-12,14H,4,10H2,1-3H3,(H2,17,19)(H,18,20)
InChIKeyWWWIRFNCYSISDB-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.88
Rot. Bonds7

About N-(1-amino-1-oxo-3-phenylpropan-2-yl)-2,3-dimethylpentanamide

N-(1-amino-1-oxo-3-phenylpropan-2-yl)-2,3-dimethylpentanamide (PubChem CID 71036532) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-(1-amino-1-oxo-3-phenylpropan-2-yl)-2,3-dimethylpentanamide.

Molecular Properties

Compound NameN-(1-amino-1-oxo-3-phenylpropan-2-yl)-2,3-dimethylpentanamide
PubChem CID71036532
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-(1-amino-1-oxo-3-phenylpropan-2-yl)-2,3-dimethylpentanamide
SMILESCCC(C)C(C)C(=O)NC(Cc1ccccc1)C(N)=O
InChIInChI=1S/C16H24N2O2/c1-4-11(2)12(3)16(20)18-14(15(17)19)10-13-8-6-5-7-9-13/h5-9,11-12,14H,4,10H2,1-3H3,(H2,17,19)(H,18,20)
InChIKeyWWWIRFNCYSISDB-UHFFFAOYSA-N
XLogP1.88
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-(1-amino-1-oxo-3-phenylpropan-2-yl)-3-methylpentanamide
CID 4599499
(2S,3S)-2-amino-N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-3-methylpentanamide;hydrochloride
CID 118816009
2-amino-N-(1-amino-1-oxo-3-phenylpropan-2-yl)butanamide
CID 5077890
2-[[(2R)-2-aminopropanoyl]amino]-3-phenylpropanamide
CID 119306654
benzyl N-[(2S,3S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]carbamate
CID 90900664
2-[[2-(methylamino)-3-phenylpropanoyl]amino]butanamide
CID 174410015
2-[[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]carbamoyl]-3-methylbutanoic acid
CID 150044333
2-[(2-acetamido-3-phenylpropanoyl)amino]-3-phenylpropanamide
CID 15923651
2-amino-N-(1-amino-1-oxo-3-phenylpropan-2-yl)-3-phenylpropanamide
CID 3511221
N-[(2R)-1-[[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]benzamide
CID 71442039
tert-butyl N-[(2R)-1-[[(2S,3S)-1-[[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]carbamate
CID 129441312
(2S)-2-[[(2S)-3-(4-acetamidophenyl)-2-aminopropanoyl]amino]-N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-3-methylpentanamide
CID 169180651

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-1-oxo-3-phenylpropan-2-yl)-2,3-dimethylpentanamide?
The IUPAC name of N-(1-amino-1-oxo-3-phenylpropan-2-yl)-2,3-dimethylpentanamide (CID 71036532) is N-(1-amino-1-oxo-3-phenylpropan-2-yl)-2,3-dimethylpentanamide.
What is the SMILES notation for N-(1-amino-1-oxo-3-phenylpropan-2-yl)-2,3-dimethylpentanamide?
The canonical SMILES for N-(1-amino-1-oxo-3-phenylpropan-2-yl)-2,3-dimethylpentanamide is CCC(C)C(C)C(=O)NC(Cc1ccccc1)C(N)=O.
What is the InChIKey of N-(1-amino-1-oxo-3-phenylpropan-2-yl)-2,3-dimethylpentanamide?
The InChIKey is WWWIRFNCYSISDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-4-11(2)12(3)16(20)18-14(15(17)19)10-13-8-6-5-7-9-13/h5-9,11-12,14H,4,10H2,1-3H3,(H2,17,19)(H,18,20).
What are the key properties of N-(1-amino-1-oxo-3-phenylpropan-2-yl)-2,3-dimethylpentanamide?
N-(1-amino-1-oxo-3-phenylpropan-2-yl)-2,3-dimethylpentanamide has a molecular weight of 276.38 g/mol, XLogP of 1.88, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-1-oxo-3-phenylpropan-2-yl)-2,3-dimethylpentanamide is sourced from PubChem (CID 71036532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).