N,4,4-trimethyl-3-oxo-N-phenylpentanamide

C14H19NO2 — CID 134872382

IUPACN,4,4-trimethyl-3-oxo-N-phenylpentanamide
SMILESCN(C(=O)CC(=O)C(C)(C)C)c1ccccc1
InChIInChI=1S/C14H19NO2/c1-14(2,3)12(16)10-13(17)15(4)11-8-6-5-7-9-11/h5-9H,10H2,1-4H3
InChIKeyYBRMBUZVXRLRAT-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.65
Rot. Bonds3

About N,4,4-trimethyl-3-oxo-N-phenylpentanamide

N,4,4-trimethyl-3-oxo-N-phenylpentanamide (PubChem CID 134872382) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is N,4,4-trimethyl-3-oxo-N-phenylpentanamide.

Molecular Properties

Compound NameN,4,4-trimethyl-3-oxo-N-phenylpentanamide
PubChem CID134872382
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC NameN,4,4-trimethyl-3-oxo-N-phenylpentanamide
SMILESCN(C(=O)CC(=O)C(C)(C)C)c1ccccc1
InChIInChI=1S/C14H19NO2/c1-14(2,3)12(16)10-13(17)15(4)11-8-6-5-7-9-11/h5-9H,10H2,1-4H3
InChIKeyYBRMBUZVXRLRAT-UHFFFAOYSA-N
XLogP2.65
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

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2-[tert-butyl-[2-(N-methylanilino)-2-oxoethyl]amino]acetic acid
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N-methyl-N-phenyl-2-pyrrol-1-ylacetamide
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N-methyl-N-phenyl-2-(2,2,2-trifluoroethylamino)acetamide
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CID 43442375
N-methyl-4-[[2-(N-methylanilino)-2-oxoethyl]amino]-N-phenylbenzamide
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Frequently Asked Questions

What is the IUPAC name of N,4,4-trimethyl-3-oxo-N-phenylpentanamide?
The IUPAC name of N,4,4-trimethyl-3-oxo-N-phenylpentanamide (CID 134872382) is N,4,4-trimethyl-3-oxo-N-phenylpentanamide.
What is the SMILES notation for N,4,4-trimethyl-3-oxo-N-phenylpentanamide?
The canonical SMILES for N,4,4-trimethyl-3-oxo-N-phenylpentanamide is CN(C(=O)CC(=O)C(C)(C)C)c1ccccc1.
What is the InChIKey of N,4,4-trimethyl-3-oxo-N-phenylpentanamide?
The InChIKey is YBRMBUZVXRLRAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-14(2,3)12(16)10-13(17)15(4)11-8-6-5-7-9-11/h5-9H,10H2,1-4H3.
What are the key properties of N,4,4-trimethyl-3-oxo-N-phenylpentanamide?
N,4,4-trimethyl-3-oxo-N-phenylpentanamide has a molecular weight of 233.31 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,4,4-trimethyl-3-oxo-N-phenylpentanamide is sourced from PubChem (CID 134872382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).