N-(3-chloro-4-methoxyphenyl)-N',N'-bis(2-methylpropyl)oxamide

C17H25ClN2O3 — CID 108501268

IUPACN-(3-chloro-4-methoxyphenyl)-N',N'-bis(2-methylpropyl)oxamide
SMILESCOc1ccc(NC(=O)C(=O)N(CC(C)C)CC(C)C)cc1Cl
InChIInChI=1S/C17H25ClN2O3/c1-11(2)9-20(10-12(3)4)17(22)16(21)19-13-6-7-15(23-5)14(18)8-13/h6-8,11-12H,9-10H2,1-5H3,(H,19,21)
InChIKeyJYRMKTOMDKPGPM-UHFFFAOYSA-N
MW340.85 g/mol
LogP3.43
Rot. Bonds6

About N-(3-chloro-4-methoxyphenyl)-N',N'-bis(2-methylpropyl)oxamide

N-(3-chloro-4-methoxyphenyl)-N',N'-bis(2-methylpropyl)oxamide (PubChem CID 108501268) has the molecular formula C17H25ClN2O3 and a molecular weight of 340.85 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-N',N'-bis(2-methylpropyl)oxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-N',N'-bis(2-methylpropyl)oxamide
PubChem CID108501268
Molecular FormulaC17H25ClN2O3
Molecular Weight340.85 g/mol
Exact Mass340.16
IUPAC NameN-(3-chloro-4-methoxyphenyl)-N',N'-bis(2-methylpropyl)oxamide
SMILESCOc1ccc(NC(=O)C(=O)N(CC(C)C)CC(C)C)cc1Cl
InChIInChI=1S/C17H25ClN2O3/c1-11(2)9-20(10-12(3)4)17(22)16(21)19-13-6-7-15(23-5)14(18)8-13/h6-8,11-12H,9-10H2,1-5H3,(H,19,21)
InChIKeyJYRMKTOMDKPGPM-UHFFFAOYSA-N
XLogP3.43
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.85
LogP ≤ 53.43
H-Bond Donors ≤ 51
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-methoxyphenyl)-N',N'-bis(2-methoxyethyl)oxamide
CID 108501243
2-[acetyl(2-methylpropyl)amino]-N-(3-chloro-4-methoxyphenyl)acetamide
CID 113158934
(Z)-3-[bis(2-methylpropyl)amino]-N-(3-chloro-4-methoxyphenyl)-2-cyanoprop-2-enamide
CID 108825995
1-(3-chloro-4-methoxyphenyl)-3-(3-methylbutyl)urea
CID 47195717
N-(3-chloro-4-methoxyphenyl)-N'-(4-hydroxyphenyl)-N'-methyloxamide
CID 108501242
N-(3-chloro-4-methoxyphenyl)-2-(2-methylpropylamino)acetamide
CID 108993256
N-(3-chloro-4-methoxyphenyl)-N'-[(1S)-1-(4-fluorophenyl)ethyl]oxamide
CID 30405257
3-(3-chloro-4-methoxyanilino)-2-methyl-3-oxopropanoic acid
CID 83550580
4-N-(3-chloro-4-methoxyphenyl)-1-N-(2-methylpropyl)benzene-1,4-dicarboxamide
CID 109043950
N,N'-bis(3-chloro-4-methoxyphenyl)hexanediamide
CID 4945268
N-(4-carbamoylphenyl)-N'-(3-chloro-4-methoxyphenyl)oxamide
CID 108501263
2-amino-N-(3-chloro-4-methoxyphenyl)-3-methylpentanamide
CID 24707805

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-N',N'-bis(2-methylpropyl)oxamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-N',N'-bis(2-methylpropyl)oxamide (CID 108501268) is N-(3-chloro-4-methoxyphenyl)-N',N'-bis(2-methylpropyl)oxamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-N',N'-bis(2-methylpropyl)oxamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-N',N'-bis(2-methylpropyl)oxamide is COc1ccc(NC(=O)C(=O)N(CC(C)C)CC(C)C)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-N',N'-bis(2-methylpropyl)oxamide?
The InChIKey is JYRMKTOMDKPGPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O3/c1-11(2)9-20(10-12(3)4)17(22)16(21)19-13-6-7-15(23-5)14(18)8-13/h6-8,11-12H,9-10H2,1-5H3,(H,19,21).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-N',N'-bis(2-methylpropyl)oxamide?
N-(3-chloro-4-methoxyphenyl)-N',N'-bis(2-methylpropyl)oxamide has a molecular weight of 340.85 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-N',N'-bis(2-methylpropyl)oxamide is sourced from PubChem (CID 108501268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).