N-(3-hydroxy-4-methylpentyl)-N'-(2-methylphenyl)oxamide

C15H22N2O3 — CID 111490774

IUPACN-(3-hydroxy-4-methylpentyl)-N'-(2-methylphenyl)oxamide
SMILESCc1ccccc1NC(=O)C(=O)NCCC(O)C(C)C
InChIInChI=1S/C15H22N2O3/c1-10(2)13(18)8-9-16-14(19)15(20)17-12-7-5-4-6-11(12)3/h4-7,10,13,18H,8-9H2,1-3H3,(H,16,19)(H,17,20)
InChIKeyUGQODNKJHMCNPG-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.46
Rot. Bonds5

About N-(3-hydroxy-4-methylpentyl)-N'-(2-methylphenyl)oxamide

N-(3-hydroxy-4-methylpentyl)-N'-(2-methylphenyl)oxamide (PubChem CID 111490774) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is N-(3-hydroxy-4-methylpentyl)-N'-(2-methylphenyl)oxamide.

Molecular Properties

Compound NameN-(3-hydroxy-4-methylpentyl)-N'-(2-methylphenyl)oxamide
PubChem CID111490774
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC NameN-(3-hydroxy-4-methylpentyl)-N'-(2-methylphenyl)oxamide
SMILESCc1ccccc1NC(=O)C(=O)NCCC(O)C(C)C
InChIInChI=1S/C15H22N2O3/c1-10(2)13(18)8-9-16-14(19)15(20)17-12-7-5-4-6-11(12)3/h4-7,10,13,18H,8-9H2,1-3H3,(H,16,19)(H,17,20)
InChIKeyUGQODNKJHMCNPG-UHFFFAOYSA-N
XLogP1.46
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-(5-fluoro-2-methylphenyl)-N-(3-hydroxy-4-methylpentyl)oxamide
CID 111490783
N-(3-hydroxy-4-methylpentyl)-N'-phenyloxamide
CID 111461297
N'-(2-methylphenyl)-N-(3-propan-2-yloxypropyl)oxamide
CID 2271541
N'-(3-chloro-4-methylphenyl)-N-(3-hydroxy-4-methylpentyl)oxamide
CID 111490803
N'-(5-chloro-2-fluorophenyl)-N-(3-hydroxy-4-methylpentyl)oxamide
CID 111490767
N'-(2,3-dimethylphenyl)-N-(3-hydroxy-3-phenylpropyl)oxamide
CID 71782301
N-(2,2-dimethoxyethyl)-N'-(2-methylphenyl)oxamide
CID 7541682
2-(2-acetamidophenyl)-N-[(3R)-3-hydroxy-4-methylpentyl]acetamide
CID 124889974
N'-(5-fluoro-2-methylphenyl)-N-(3-hydroxybutyl)oxamide
CID 111337533
N'-(5-chloro-2-methylphenyl)-N-(3-hydroxybutyl)oxamide
CID 111337573
N'-(3,5-dichlorophenyl)-N-(3-hydroxy-4-methylpentyl)oxamide
CID 111490812
4-hydroxy-N-(2-methylphenyl)pentanamide
CID 79017195

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-4-methylpentyl)-N'-(2-methylphenyl)oxamide?
The IUPAC name of N-(3-hydroxy-4-methylpentyl)-N'-(2-methylphenyl)oxamide (CID 111490774) is N-(3-hydroxy-4-methylpentyl)-N'-(2-methylphenyl)oxamide.
What is the SMILES notation for N-(3-hydroxy-4-methylpentyl)-N'-(2-methylphenyl)oxamide?
The canonical SMILES for N-(3-hydroxy-4-methylpentyl)-N'-(2-methylphenyl)oxamide is Cc1ccccc1NC(=O)C(=O)NCCC(O)C(C)C.
What is the InChIKey of N-(3-hydroxy-4-methylpentyl)-N'-(2-methylphenyl)oxamide?
The InChIKey is UGQODNKJHMCNPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-10(2)13(18)8-9-16-14(19)15(20)17-12-7-5-4-6-11(12)3/h4-7,10,13,18H,8-9H2,1-3H3,(H,16,19)(H,17,20).
What are the key properties of N-(3-hydroxy-4-methylpentyl)-N'-(2-methylphenyl)oxamide?
N-(3-hydroxy-4-methylpentyl)-N'-(2-methylphenyl)oxamide has a molecular weight of 278.35 g/mol, XLogP of 1.46, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-4-methylpentyl)-N'-(2-methylphenyl)oxamide is sourced from PubChem (CID 111490774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).