N-(2-methylpropyl)-2-oxo-3-phenylpropanamide

C13H17NO2 — CID 94682704

IUPACN-(2-methylpropyl)-2-oxo-3-phenylpropanamide
SMILESCC(C)CNC(=O)C(=O)Cc1ccccc1
InChIInChI=1S/C13H17NO2/c1-10(2)9-14-13(16)12(15)8-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H,14,16)
InChIKeyATYKTFUPRJMJDS-UHFFFAOYSA-N
MW219.28 g/mol
LogP1.57
Rot. Bonds5

About N-(2-methylpropyl)-2-oxo-3-phenylpropanamide

N-(2-methylpropyl)-2-oxo-3-phenylpropanamide (PubChem CID 94682704) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is N-(2-methylpropyl)-2-oxo-3-phenylpropanamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-2-oxo-3-phenylpropanamide
PubChem CID94682704
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC NameN-(2-methylpropyl)-2-oxo-3-phenylpropanamide
SMILESCC(C)CNC(=O)C(=O)Cc1ccccc1
InChIInChI=1S/C13H17NO2/c1-10(2)9-14-13(16)12(15)8-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H,14,16)
InChIKeyATYKTFUPRJMJDS-UHFFFAOYSA-N
XLogP1.57
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-oxo-3-phenyl-N-propylpropanamide
CID 68696691
N',N'-dibenzyl-N-(2-methylpropyl)oxamide
CID 108504849
N-benzyl-N'-[(2S)-2-hydroxypropyl]oxamide
CID 6593599
N-[[3-[(2-methylpropylcarbamoylamino)methyl]phenyl]methyl]-2-phenylacetamide
CID 23826181
N,N'-bis[(2S)-1-(2-methylpropylamino)-1-oxo-3-phenylpropan-2-yl]oxamide
CID 10345646
2-(benzylamino)-N-(2-methylpropyl)propanamide
CID 43086806
2-[4-(2-methylpropylcarbamoylamino)phenyl]acetic acid
CID 61188287
N-(2-methylpropyl)-5-phenylpentanamide
CID 110297876
N-benzyl-2-methyl-N-[1-(2-methylpropylamino)-1-oxopropan-2-yl]propanamide
CID 133148930
2-(2-methylpropylcarbamoylamino)-3-phenylpropanoic acid
CID 4019220
N-[(2S)-2-amino-3-methylbutyl]-2-phenylacetamide
CID 66969308
N-(2-methylpropyl)-2,4-dioxopentanamide
CID 123533018

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-2-oxo-3-phenylpropanamide?
The IUPAC name of N-(2-methylpropyl)-2-oxo-3-phenylpropanamide (CID 94682704) is N-(2-methylpropyl)-2-oxo-3-phenylpropanamide.
What is the SMILES notation for N-(2-methylpropyl)-2-oxo-3-phenylpropanamide?
The canonical SMILES for N-(2-methylpropyl)-2-oxo-3-phenylpropanamide is CC(C)CNC(=O)C(=O)Cc1ccccc1.
What is the InChIKey of N-(2-methylpropyl)-2-oxo-3-phenylpropanamide?
The InChIKey is ATYKTFUPRJMJDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-10(2)9-14-13(16)12(15)8-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H,14,16).
What are the key properties of N-(2-methylpropyl)-2-oxo-3-phenylpropanamide?
N-(2-methylpropyl)-2-oxo-3-phenylpropanamide has a molecular weight of 219.28 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-2-oxo-3-phenylpropanamide is sourced from PubChem (CID 94682704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).