N'-(5-chloro-2-methylphenyl)-N-(2-ethyl-2-hydroxybutyl)oxamide

C15H21ClN2O3 — CID 48894697

IUPACN'-(5-chloro-2-methylphenyl)-N-(2-ethyl-2-hydroxybutyl)oxamide
SMILESCCC(O)(CC)CNC(=O)C(=O)Nc1cc(Cl)ccc1C
InChIInChI=1S/C15H21ClN2O3/c1-4-15(21,5-2)9-17-13(19)14(20)18-12-8-11(16)7-6-10(12)3/h6-8,21H,4-5,9H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyVXGKPOOTOHIYSZ-UHFFFAOYSA-N
MW312.80 g/mol
LogP2.25
Rot. Bonds5

About N'-(5-chloro-2-methylphenyl)-N-(2-ethyl-2-hydroxybutyl)oxamide

N'-(5-chloro-2-methylphenyl)-N-(2-ethyl-2-hydroxybutyl)oxamide (PubChem CID 48894697) has the molecular formula C15H21ClN2O3 and a molecular weight of 312.80 g/mol. Its IUPAC name is N'-(5-chloro-2-methylphenyl)-N-(2-ethyl-2-hydroxybutyl)oxamide.

Molecular Properties

Compound NameN'-(5-chloro-2-methylphenyl)-N-(2-ethyl-2-hydroxybutyl)oxamide
PubChem CID48894697
Molecular FormulaC15H21ClN2O3
Molecular Weight312.80 g/mol
Exact Mass312.12
IUPAC NameN'-(5-chloro-2-methylphenyl)-N-(2-ethyl-2-hydroxybutyl)oxamide
SMILESCCC(O)(CC)CNC(=O)C(=O)Nc1cc(Cl)ccc1C
InChIInChI=1S/C15H21ClN2O3/c1-4-15(21,5-2)9-17-13(19)14(20)18-12-8-11(16)7-6-10(12)3/h6-8,21H,4-5,9H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyVXGKPOOTOHIYSZ-UHFFFAOYSA-N
XLogP2.25
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 ≤ 52.25
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-(2-ethyl-2-hydroxybutyl)-N'-[2-methyl-5-(trifluoromethyl)phenyl]oxamide
CID 111566922
N-(2-ethyl-2-hydroxybutyl)-N'-(2-fluoro-5-methylphenyl)oxamide
CID 48894696
N'-(2,5-difluorophenyl)-N-(2-ethyl-2-hydroxybutyl)oxamide
CID 48894796
N'-(5-chloro-2-methylphenyl)-N-(2-methylpropyl)oxamide
CID 2218014
N'-(5-chloro-2-methylphenyl)-N-(3-hydroxybutyl)oxamide
CID 111337573
N'-(5-chloro-2-methylphenyl)-N-[3-(diethylamino)propyl]oxamide
CID 108511778
N'-(5-chloro-2-methylphenyl)-N-(2-phenylethyl)oxamide
CID 2876297
N'-(5-chloro-2-methylphenyl)-N-[2-(4-hydroxyphenyl)ethyl]oxamide
CID 108503009
2-chloro-N-(5-chloro-2-methylphenyl)prop-2-enamide
CID 131001051
N-(5-chloro-2-methylphenyl)-N'-(1-hydroxybutan-2-yl)oxamide
CID 45000896
N-(2-butan-2-ylphenyl)-N'-(5-chloro-2-methylphenyl)oxamide
CID 108511864
N,N'-bis(5-chloro-2-methylphenyl)propanediamide
CID 1340673

Frequently Asked Questions

What is the IUPAC name of N'-(5-chloro-2-methylphenyl)-N-(2-ethyl-2-hydroxybutyl)oxamide?
The IUPAC name of N'-(5-chloro-2-methylphenyl)-N-(2-ethyl-2-hydroxybutyl)oxamide (CID 48894697) is N'-(5-chloro-2-methylphenyl)-N-(2-ethyl-2-hydroxybutyl)oxamide.
What is the SMILES notation for N'-(5-chloro-2-methylphenyl)-N-(2-ethyl-2-hydroxybutyl)oxamide?
The canonical SMILES for N'-(5-chloro-2-methylphenyl)-N-(2-ethyl-2-hydroxybutyl)oxamide is CCC(O)(CC)CNC(=O)C(=O)Nc1cc(Cl)ccc1C.
What is the InChIKey of N'-(5-chloro-2-methylphenyl)-N-(2-ethyl-2-hydroxybutyl)oxamide?
The InChIKey is VXGKPOOTOHIYSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O3/c1-4-15(21,5-2)9-17-13(19)14(20)18-12-8-11(16)7-6-10(12)3/h6-8,21H,4-5,9H2,1-3H3,(H,17,19)(H,18,20).
What are the key properties of N'-(5-chloro-2-methylphenyl)-N-(2-ethyl-2-hydroxybutyl)oxamide?
N'-(5-chloro-2-methylphenyl)-N-(2-ethyl-2-hydroxybutyl)oxamide has a molecular weight of 312.80 g/mol, XLogP of 2.25, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-chloro-2-methylphenyl)-N-(2-ethyl-2-hydroxybutyl)oxamide is sourced from PubChem (CID 48894697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).