N-(4-methyl-3-oxo-1-phenylpentan-2-yl)acetamide

C14H19NO2 — CID 19002966

IUPACN-(4-methyl-3-oxo-1-phenylpentan-2-yl)acetamide
SMILESCC(=O)NC(Cc1ccccc1)C(=O)C(C)C
InChIInChI=1S/C14H19NO2/c1-10(2)14(17)13(15-11(3)16)9-12-7-5-4-6-8-12/h4-8,10,13H,9H2,1-3H3,(H,15,16)
InChIKeyPKOIVMTWTZPJFW-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.96
Rot. Bonds5

About N-(4-methyl-3-oxo-1-phenylpentan-2-yl)acetamide

N-(4-methyl-3-oxo-1-phenylpentan-2-yl)acetamide (PubChem CID 19002966) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is N-(4-methyl-3-oxo-1-phenylpentan-2-yl)acetamide.

Molecular Properties

Compound NameN-(4-methyl-3-oxo-1-phenylpentan-2-yl)acetamide
PubChem CID19002966
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC NameN-(4-methyl-3-oxo-1-phenylpentan-2-yl)acetamide
SMILESCC(=O)NC(Cc1ccccc1)C(=O)C(C)C
InChIInChI=1S/C14H19NO2/c1-10(2)14(17)13(15-11(3)16)9-12-7-5-4-6-8-12/h4-8,10,13H,9H2,1-3H3,(H,15,16)
InChIKeyPKOIVMTWTZPJFW-UHFFFAOYSA-N
XLogP1.96
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-methyl-3-oxo-1-phenylpentan-2-yl)-3-phenyl-2-(propan-2-ylamino)propanamide
CID 171756988
(3S)-5-acetamido-3-amino-4-oxo-6-phenylhexanoic acid
CID 70092692
2-acetamido-3-phenylpropanamide;ethane
CID 144643683
N-[(2R,3Z)-3-hydroxyimino-1-phenylbutan-2-yl]acetamide
CID 92529724
(2S)-2-[(2-acetamido-3-phenylpropanoyl)amino]-3-phenylpropanoic acid
CID 13265658
N-[(2S)-1-hydrazinyl-1-oxo-3-phenylpropan-2-yl]acetamide
CID 2802422
fluoro 2-acetamido-3-phenylpropanoate
CID 171034994
(2S)-2-acetamido-N-[(2S)-1-[[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-3-phenylpropanamide
CID 100988168
(5S)-5-acetamido-2,4-dioxo-6-phenylhexanoic acid
CID 101050803
2-[(2-acetamido-3-phenylpropanoyl)amino]-3-phenylpropanamide
CID 15923651
ethane;methyl 2-acetamido-3-phenylpropanoate;N-methylmethanamine
CID 91439308
(E,5S)-5-acetamido-4-oxo-6-phenylhex-2-enoic acid
CID 91974006

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-3-oxo-1-phenylpentan-2-yl)acetamide?
The IUPAC name of N-(4-methyl-3-oxo-1-phenylpentan-2-yl)acetamide (CID 19002966) is N-(4-methyl-3-oxo-1-phenylpentan-2-yl)acetamide.
What is the SMILES notation for N-(4-methyl-3-oxo-1-phenylpentan-2-yl)acetamide?
The canonical SMILES for N-(4-methyl-3-oxo-1-phenylpentan-2-yl)acetamide is CC(=O)NC(Cc1ccccc1)C(=O)C(C)C.
What is the InChIKey of N-(4-methyl-3-oxo-1-phenylpentan-2-yl)acetamide?
The InChIKey is PKOIVMTWTZPJFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-10(2)14(17)13(15-11(3)16)9-12-7-5-4-6-8-12/h4-8,10,13H,9H2,1-3H3,(H,15,16).
What are the key properties of N-(4-methyl-3-oxo-1-phenylpentan-2-yl)acetamide?
N-(4-methyl-3-oxo-1-phenylpentan-2-yl)acetamide has a molecular weight of 233.31 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-3-oxo-1-phenylpentan-2-yl)acetamide is sourced from PubChem (CID 19002966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).