N-(3-chloro-4-methylphenyl)-N'-(1-hydroxy-4-methylpentan-3-yl)oxamide

C15H21ClN2O3 — CID 111798745

IUPACN-(3-chloro-4-methylphenyl)-N'-(1-hydroxy-4-methylpentan-3-yl)oxamide
SMILESCc1ccc(NC(=O)C(=O)NC(CCO)C(C)C)cc1Cl
InChIInChI=1S/C15H21ClN2O3/c1-9(2)13(6-7-19)18-15(21)14(20)17-11-5-4-10(3)12(16)8-11/h4-5,8-9,13,19H,6-7H2,1-3H3,(H,17,20)(H,18,21)
InChIKeyLNBUEJMXDFYTMR-UHFFFAOYSA-N
MW312.80 g/mol
LogP2.11
Rot. Bonds5

About N-(3-chloro-4-methylphenyl)-N'-(1-hydroxy-4-methylpentan-3-yl)oxamide

N-(3-chloro-4-methylphenyl)-N'-(1-hydroxy-4-methylpentan-3-yl)oxamide (PubChem CID 111798745) has the molecular formula C15H21ClN2O3 and a molecular weight of 312.80 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-N'-(1-hydroxy-4-methylpentan-3-yl)oxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-N'-(1-hydroxy-4-methylpentan-3-yl)oxamide
PubChem CID111798745
Molecular FormulaC15H21ClN2O3
Molecular Weight312.80 g/mol
Exact Mass312.12
IUPAC NameN-(3-chloro-4-methylphenyl)-N'-(1-hydroxy-4-methylpentan-3-yl)oxamide
SMILESCc1ccc(NC(=O)C(=O)NC(CCO)C(C)C)cc1Cl
InChIInChI=1S/C15H21ClN2O3/c1-9(2)13(6-7-19)18-15(21)14(20)17-11-5-4-10(3)12(16)8-11/h4-5,8-9,13,19H,6-7H2,1-3H3,(H,17,20)(H,18,21)
InChIKeyLNBUEJMXDFYTMR-UHFFFAOYSA-N
XLogP2.11
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 52.11
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'-(3-chloro-4-methylphenyl)-N-(3-methylbutyl)oxamide
CID 2290781
N'-(3-chloro-4-methylphenyl)-N-(3-hydroxy-4-methylpentyl)oxamide
CID 111490803
N-(3-chloro-4-methylphenyl)-2-(2-hydroxyethylamino)propanamide
CID 82358486
N'-(3-chloro-4-methylphenyl)-N-[2-(dimethylamino)ethyl]oxamide
CID 7585401
4-amino-N-(3-chloro-4-methylphenyl)pentanamide;hydrochloride
CID 120558654
N'-(3-chloro-4-methylphenyl)-N-[(2S)-2-ethylhexyl]oxamide
CID 2291750
N'-(3-chloro-4-methylphenyl)-N-(2,2-dimethoxyethyl)oxamide
CID 7585408
N'-(3-chloro-4-methylphenyl)-N-[3-(dimethylamino)propyl]oxamide
CID 7585404
N'-(1-butan-2-yl-5-methylpyrazol-3-yl)-N-(3-chloro-4-methylphenyl)oxamide
CID 102563866
N'-butan-2-yl-N-(3,4-dimethylphenyl)oxamide
CID 3102423
ethyl 2-(3-chloro-4-methylanilino)-2-oxoacetate
CID 3368368
(2S)-2-[[2-(3-chloro-4-methylanilino)-2-oxoethyl]amino]propanoic acid
CID 83194812

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-N'-(1-hydroxy-4-methylpentan-3-yl)oxamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-N'-(1-hydroxy-4-methylpentan-3-yl)oxamide (CID 111798745) is N-(3-chloro-4-methylphenyl)-N'-(1-hydroxy-4-methylpentan-3-yl)oxamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-N'-(1-hydroxy-4-methylpentan-3-yl)oxamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-N'-(1-hydroxy-4-methylpentan-3-yl)oxamide is Cc1ccc(NC(=O)C(=O)NC(CCO)C(C)C)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-N'-(1-hydroxy-4-methylpentan-3-yl)oxamide?
The InChIKey is LNBUEJMXDFYTMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O3/c1-9(2)13(6-7-19)18-15(21)14(20)17-11-5-4-10(3)12(16)8-11/h4-5,8-9,13,19H,6-7H2,1-3H3,(H,17,20)(H,18,21).
What are the key properties of N-(3-chloro-4-methylphenyl)-N'-(1-hydroxy-4-methylpentan-3-yl)oxamide?
N-(3-chloro-4-methylphenyl)-N'-(1-hydroxy-4-methylpentan-3-yl)oxamide has a molecular weight of 312.80 g/mol, XLogP of 2.11, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-N'-(1-hydroxy-4-methylpentan-3-yl)oxamide is sourced from PubChem (CID 111798745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).