N-(2-hydroxy-4-methylpentyl)-2-(4-methylphenyl)-2-oxoacetamide

C15H21NO3 — CID 111106429

IUPACN-(2-hydroxy-4-methylpentyl)-2-(4-methylphenyl)-2-oxoacetamide
SMILESCc1ccc(C(=O)C(=O)NCC(O)CC(C)C)cc1
InChIInChI=1S/C15H21NO3/c1-10(2)8-13(17)9-16-15(19)14(18)12-6-4-11(3)5-7-12/h4-7,10,13,17H,8-9H2,1-3H3,(H,16,19)
InChIKeyKXRCPBULTCTCAM-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.70
Rot. Bonds6

About N-(2-hydroxy-4-methylpentyl)-2-(4-methylphenyl)-2-oxoacetamide

N-(2-hydroxy-4-methylpentyl)-2-(4-methylphenyl)-2-oxoacetamide (PubChem CID 111106429) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-(2-hydroxy-4-methylpentyl)-2-(4-methylphenyl)-2-oxoacetamide.

Molecular Properties

Compound NameN-(2-hydroxy-4-methylpentyl)-2-(4-methylphenyl)-2-oxoacetamide
PubChem CID111106429
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC NameN-(2-hydroxy-4-methylpentyl)-2-(4-methylphenyl)-2-oxoacetamide
SMILESCc1ccc(C(=O)C(=O)NCC(O)CC(C)C)cc1
InChIInChI=1S/C15H21NO3/c1-10(2)8-13(17)9-16-15(19)14(18)12-6-4-11(3)5-7-12/h4-7,10,13,17H,8-9H2,1-3H3,(H,16,19)
InChIKeyKXRCPBULTCTCAM-UHFFFAOYSA-N
XLogP1.70
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 71261
3-Methyl-2-[(4-methylphenyl)formamido]butanoic acid
CID 2941839
N-(1-hydroxy-2-oxo-2-phenylethyl)acetamide
CID 2830273
Propionamide, 3-(2,4-dimethylbenzoyl)-N-(3-hydroxypropyl)-
CID 209785
N-(4-butylbenzoyl)valine
CID 2957235
N-[1-hydroxy-2-(4-methylphenyl)-2-oxoethyl]propanamide
CID 3312295
(2S)-3-methyl-2-(phenacylamino)butanoic acid;hydrochloride
CID 44522552
4-heptyl-N-[(E,2R,3R)-3-hydroxyheptadec-4-en-2-yl]benzamide
CID 164614882
2-[(4-Ethylbenzoyl)amino]-3-methylbutanoic acid
CID 2912948
N-(2-hydroxyethyl)-2-methyl-3-phenylpropanamide
CID 5459522
N1,N4-Bis(2-hydroxyethyl)-1,4-benzenedicarboxamide
CID 87854
N-(2-methoxyethyl)-4-(propan-2-yl)benzamide
CID 2071905

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-4-methylpentyl)-2-(4-methylphenyl)-2-oxoacetamide?
The IUPAC name of N-(2-hydroxy-4-methylpentyl)-2-(4-methylphenyl)-2-oxoacetamide (CID 111106429) is N-(2-hydroxy-4-methylpentyl)-2-(4-methylphenyl)-2-oxoacetamide.
What is the SMILES notation for N-(2-hydroxy-4-methylpentyl)-2-(4-methylphenyl)-2-oxoacetamide?
The canonical SMILES for N-(2-hydroxy-4-methylpentyl)-2-(4-methylphenyl)-2-oxoacetamide is Cc1ccc(C(=O)C(=O)NCC(O)CC(C)C)cc1.
What is the InChIKey of N-(2-hydroxy-4-methylpentyl)-2-(4-methylphenyl)-2-oxoacetamide?
The InChIKey is KXRCPBULTCTCAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-10(2)8-13(17)9-16-15(19)14(18)12-6-4-11(3)5-7-12/h4-7,10,13,17H,8-9H2,1-3H3,(H,16,19).
What are the key properties of N-(2-hydroxy-4-methylpentyl)-2-(4-methylphenyl)-2-oxoacetamide?
N-(2-hydroxy-4-methylpentyl)-2-(4-methylphenyl)-2-oxoacetamide has a molecular weight of 263.34 g/mol, XLogP of 1.70, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-4-methylpentyl)-2-(4-methylphenyl)-2-oxoacetamide is sourced from PubChem (CID 111106429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).