N'-(3-chloropropyl)-N-pentyloxamide

C10H19ClN2O2 — CID 108513677

IUPACN'-(3-chloropropyl)-N-pentyloxamide
SMILESCCCCCNC(=O)C(=O)NCCCCl
InChIInChI=1S/C10H19ClN2O2/c1-2-3-4-7-12-9(14)10(15)13-8-5-6-11/h2-8H2,1H3,(H,12,14)(H,13,15)
InChIKeyMWTIRUHYNRFTIM-UHFFFAOYSA-N
MW234.73 g/mol
LogP1.04
Rot. Bonds7

About N'-(3-chloropropyl)-N-pentyloxamide

N'-(3-chloropropyl)-N-pentyloxamide (PubChem CID 108513677) has the molecular formula C10H19ClN2O2 and a molecular weight of 234.73 g/mol. Its IUPAC name is N'-(3-chloropropyl)-N-pentyloxamide.

Molecular Properties

Compound NameN'-(3-chloropropyl)-N-pentyloxamide
PubChem CID108513677
Molecular FormulaC10H19ClN2O2
Molecular Weight234.73 g/mol
Exact Mass234.11
IUPAC NameN'-(3-chloropropyl)-N-pentyloxamide
SMILESCCCCCNC(=O)C(=O)NCCCCl
InChIInChI=1S/C10H19ClN2O2/c1-2-3-4-7-12-9(14)10(15)13-8-5-6-11/h2-8H2,1H3,(H,12,14)(H,13,15)
InChIKeyMWTIRUHYNRFTIM-UHFFFAOYSA-N
XLogP1.04
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.73
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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,N'-diheptyloxamide
CID 3417538
N-hexadecyl-N'-[2-[[2-(hexadecylamino)-2-oxoacetyl]amino]ethyl]oxamide
CID 154464806
N-(3-chloropropyl)dodecanamide
CID 17164369
N-(3-chloropropyl)-N'-(2-hydroxyethyl)oxamide
CID 108513733
N-(5-chloropentyl)dodecanamide
CID 107321143
5-chloro-N-nonylpentanamide
CID 91692760
2-chloro-N-dotriacontylacetamide
CID 163206961
methyl 2-[6-[(2-methoxy-2-oxoacetyl)amino]hexylamino]-2-oxoacetate;N-octyl-N'-[6-[[2-(octylamino)-2-oxoacetyl]amino]hexyl]oxamide
CID 158140787
N'-(3-methylbutyl)-N-pentyloxamide
CID 108521757
N-nonylcarbamoyl chloride
CID 89287231
2-oxo-N-tetradecyloctadecanamide
CID 87948435
N-butyl-4-chlorobutanamide
CID 4218503

Frequently Asked Questions

What is the IUPAC name of N'-(3-chloropropyl)-N-pentyloxamide?
The IUPAC name of N'-(3-chloropropyl)-N-pentyloxamide (CID 108513677) is N'-(3-chloropropyl)-N-pentyloxamide.
What is the SMILES notation for N'-(3-chloropropyl)-N-pentyloxamide?
The canonical SMILES for N'-(3-chloropropyl)-N-pentyloxamide is CCCCCNC(=O)C(=O)NCCCCl.
What is the InChIKey of N'-(3-chloropropyl)-N-pentyloxamide?
The InChIKey is MWTIRUHYNRFTIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19ClN2O2/c1-2-3-4-7-12-9(14)10(15)13-8-5-6-11/h2-8H2,1H3,(H,12,14)(H,13,15).
What are the key properties of N'-(3-chloropropyl)-N-pentyloxamide?
N'-(3-chloropropyl)-N-pentyloxamide has a molecular weight of 234.73 g/mol, XLogP of 1.04, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-chloropropyl)-N-pentyloxamide is sourced from PubChem (CID 108513677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).