N-(3-chloropropyl)-N'-[2-(4-hydroxyphenyl)ethyl]oxamide

C13H17ClN2O3 — CID 108503020

IUPACN-(3-chloropropyl)-N'-[2-(4-hydroxyphenyl)ethyl]oxamide
SMILESO=C(NCCCCl)C(=O)NCCc1ccc(O)cc1
InChIInChI=1S/C13H17ClN2O3/c14-7-1-8-15-12(18)13(19)16-9-6-10-2-4-11(17)5-3-10/h2-5,17H,1,6-9H2,(H,15,18)(H,16,19)
InChIKeyXWYBMHBAQJMASW-UHFFFAOYSA-N
MW284.74 g/mol
LogP0.80
Rot. Bonds6

About N-(3-chloropropyl)-N'-[2-(4-hydroxyphenyl)ethyl]oxamide

N-(3-chloropropyl)-N'-[2-(4-hydroxyphenyl)ethyl]oxamide (PubChem CID 108503020) has the molecular formula C13H17ClN2O3 and a molecular weight of 284.74 g/mol. Its IUPAC name is N-(3-chloropropyl)-N'-[2-(4-hydroxyphenyl)ethyl]oxamide.

Molecular Properties

Compound NameN-(3-chloropropyl)-N'-[2-(4-hydroxyphenyl)ethyl]oxamide
PubChem CID108503020
Molecular FormulaC13H17ClN2O3
Molecular Weight284.74 g/mol
Exact Mass284.09
IUPAC NameN-(3-chloropropyl)-N'-[2-(4-hydroxyphenyl)ethyl]oxamide
SMILESO=C(NCCCCl)C(=O)NCCc1ccc(O)cc1
InChIInChI=1S/C13H17ClN2O3/c14-7-1-8-15-12(18)13(19)16-9-6-10-2-4-11(17)5-3-10/h2-5,17H,1,6-9H2,(H,15,18)(H,16,19)
InChIKeyXWYBMHBAQJMASW-UHFFFAOYSA-N
XLogP0.80
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.74
LogP ≤ 50.80
H-Bond Donors ≤ 53
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-butyl-N'-[2-(4-hydroxyphenyl)ethyl]oxamide
CID 108502974
N'-[2-(4-hydroxyphenyl)ethyl]-N-octadecyloxamide
CID 18983792
N'-(1-hydroxy-2-methylpropan-2-yl)-N-[2-(4-hydroxyphenyl)ethyl]oxamide
CID 108503230
N'-cyclopropyl-N-[2-(4-hydroxyphenyl)ethyl]oxamide
CID 108503179
N-[2-(4-hydroxyphenyl)ethyl]-N'-[2-(4-sulfamoylphenyl)ethyl]oxamide
CID 108503154
N-dodecyl-N'-[3-(4-hydroxyphenyl)propyl]oxamide
CID 19597062
N'-(2,6-dichlorophenyl)-N-[2-(4-hydroxyphenyl)ethyl]oxamide
CID 108503199
(E)-N-[2-(4-hydroxyphenyl)ethyl]-2-methylbut-2-enamide
CID 91710848
1-[2-(4-hydroxyphenyl)ethyl]-3-octadecylurea
CID 18183924
N'-(5-chloro-2-methylphenyl)-N-[2-(4-hydroxyphenyl)ethyl]oxamide
CID 108503009
N'-(4-amino-2-chlorophenyl)-N-[2-(4-hydroxyphenyl)ethyl]oxamide
CID 108503034
N-(3-chloropropyl)-N'-(4-hydroxy-2-methylphenyl)oxamide
CID 108509469

Frequently Asked Questions

What is the IUPAC name of N-(3-chloropropyl)-N'-[2-(4-hydroxyphenyl)ethyl]oxamide?
The IUPAC name of N-(3-chloropropyl)-N'-[2-(4-hydroxyphenyl)ethyl]oxamide (CID 108503020) is N-(3-chloropropyl)-N'-[2-(4-hydroxyphenyl)ethyl]oxamide.
What is the SMILES notation for N-(3-chloropropyl)-N'-[2-(4-hydroxyphenyl)ethyl]oxamide?
The canonical SMILES for N-(3-chloropropyl)-N'-[2-(4-hydroxyphenyl)ethyl]oxamide is O=C(NCCCCl)C(=O)NCCc1ccc(O)cc1.
What is the InChIKey of N-(3-chloropropyl)-N'-[2-(4-hydroxyphenyl)ethyl]oxamide?
The InChIKey is XWYBMHBAQJMASW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O3/c14-7-1-8-15-12(18)13(19)16-9-6-10-2-4-11(17)5-3-10/h2-5,17H,1,6-9H2,(H,15,18)(H,16,19).
What are the key properties of N-(3-chloropropyl)-N'-[2-(4-hydroxyphenyl)ethyl]oxamide?
N-(3-chloropropyl)-N'-[2-(4-hydroxyphenyl)ethyl]oxamide has a molecular weight of 284.74 g/mol, XLogP of 0.80, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloropropyl)-N'-[2-(4-hydroxyphenyl)ethyl]oxamide is sourced from PubChem (CID 108503020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).