N-(3-chloropropyl)-N'-[(4-methoxyphenyl)methyl]oxamide

C13H17ClN2O3 — CID 108508151

IUPACN-(3-chloropropyl)-N'-[(4-methoxyphenyl)methyl]oxamide
SMILESCOc1ccc(CNC(=O)C(=O)NCCCCl)cc1
InChIInChI=1S/C13H17ClN2O3/c1-19-11-5-3-10(4-6-11)9-16-13(18)12(17)15-8-2-7-14/h3-6H,2,7-9H2,1H3,(H,15,17)(H,16,18)
InChIKeySARNEHSVUOQUDH-UHFFFAOYSA-N
MW284.74 g/mol
LogP1.06
Rot. Bonds6

About N-(3-chloropropyl)-N'-[(4-methoxyphenyl)methyl]oxamide

N-(3-chloropropyl)-N'-[(4-methoxyphenyl)methyl]oxamide (PubChem CID 108508151) has the molecular formula C13H17ClN2O3 and a molecular weight of 284.74 g/mol. Its IUPAC name is N-(3-chloropropyl)-N'-[(4-methoxyphenyl)methyl]oxamide.

Molecular Properties

Compound NameN-(3-chloropropyl)-N'-[(4-methoxyphenyl)methyl]oxamide
PubChem CID108508151
Molecular FormulaC13H17ClN2O3
Molecular Weight284.74 g/mol
Exact Mass284.09
IUPAC NameN-(3-chloropropyl)-N'-[(4-methoxyphenyl)methyl]oxamide
SMILESCOc1ccc(CNC(=O)C(=O)NCCCCl)cc1
InChIInChI=1S/C13H17ClN2O3/c1-19-11-5-3-10(4-6-11)9-16-13(18)12(17)15-8-2-7-14/h3-6H,2,7-9H2,1H3,(H,15,17)(H,16,18)
InChIKeySARNEHSVUOQUDH-UHFFFAOYSA-N
XLogP1.06
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.74
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-ethoxypropyl)-N'-[(4-methoxyphenyl)methyl]oxamide
CID 21369943
N-[2-(4-methoxyphenoxy)ethyl]-N'-[(4-methylphenyl)methyl]oxamide
CID 108518165
N'-[(4-methoxyphenyl)methyl]oxamide
CID 2243752
N-[2-(4-methoxyphenyl)ethyl]-N'-(pyridin-4-ylmethyl)oxamide
CID 2272217
N'-[(4-methoxyphenyl)methyl]-N-[3-(4-pyrrolidin-1-ylphenyl)propyl]oxamide
CID 16892077
(E)-N-[(4-methoxyphenyl)methyl]-2-methylbut-2-enamide
CID 134086963
N-[2-(furan-3-yl)ethyl]-N'-[(4-methoxyphenyl)methyl]oxamide
CID 90558497
N'-(4-butoxyphenyl)-N-[(4-methoxyphenyl)methyl]oxamide
CID 2194197
2-amino-N-[(4-methoxyphenyl)methyl]-2-sulfanylideneacetamide
CID 89181014
N-[(4-methoxyphenyl)methyl]pentanamide
CID 2169969
N-[(4-methoxyphenyl)methyl]acetamide;hydrochloride
CID 139808929
N,N'-bis[(4-ethoxyphenyl)methyl]oxamide
CID 125144939

Frequently Asked Questions

What is the IUPAC name of N-(3-chloropropyl)-N'-[(4-methoxyphenyl)methyl]oxamide?
The IUPAC name of N-(3-chloropropyl)-N'-[(4-methoxyphenyl)methyl]oxamide (CID 108508151) is N-(3-chloropropyl)-N'-[(4-methoxyphenyl)methyl]oxamide.
What is the SMILES notation for N-(3-chloropropyl)-N'-[(4-methoxyphenyl)methyl]oxamide?
The canonical SMILES for N-(3-chloropropyl)-N'-[(4-methoxyphenyl)methyl]oxamide is COc1ccc(CNC(=O)C(=O)NCCCCl)cc1.
What is the InChIKey of N-(3-chloropropyl)-N'-[(4-methoxyphenyl)methyl]oxamide?
The InChIKey is SARNEHSVUOQUDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O3/c1-19-11-5-3-10(4-6-11)9-16-13(18)12(17)15-8-2-7-14/h3-6H,2,7-9H2,1H3,(H,15,17)(H,16,18).
What are the key properties of N-(3-chloropropyl)-N'-[(4-methoxyphenyl)methyl]oxamide?
N-(3-chloropropyl)-N'-[(4-methoxyphenyl)methyl]oxamide has a molecular weight of 284.74 g/mol, XLogP of 1.06, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloropropyl)-N'-[(4-methoxyphenyl)methyl]oxamide is sourced from PubChem (CID 108508151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).