N-(2-chloroethyl)-N-cyclohexyl-3-methylpentanamide

C14H26ClNO — CID 114876819

IUPACN-(2-chloroethyl)-N-cyclohexyl-3-methylpentanamide
SMILESCCC(C)CC(=O)N(CCCl)C1CCCCC1
InChIInChI=1S/C14H26ClNO/c1-3-12(2)11-14(17)16(10-9-15)13-7-5-4-6-8-13/h12-13H,3-11H2,1-2H3
InChIKeyHMFBGTFHGYRQMV-UHFFFAOYSA-N
MW259.82 g/mol
LogP3.82
Rot. Bonds6

About N-(2-chloroethyl)-N-cyclohexyl-3-methylpentanamide

N-(2-chloroethyl)-N-cyclohexyl-3-methylpentanamide (PubChem CID 114876819) has the molecular formula C14H26ClNO and a molecular weight of 259.82 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-cyclohexyl-3-methylpentanamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-cyclohexyl-3-methylpentanamide
PubChem CID114876819
Molecular FormulaC14H26ClNO
Molecular Weight259.82 g/mol
Exact Mass259.17
IUPAC NameN-(2-chloroethyl)-N-cyclohexyl-3-methylpentanamide
SMILESCCC(C)CC(=O)N(CCCl)C1CCCCC1
InChIInChI=1S/C14H26ClNO/c1-3-12(2)11-14(17)16(10-9-15)13-7-5-4-6-8-13/h12-13H,3-11H2,1-2H3
InChIKeyHMFBGTFHGYRQMV-UHFFFAOYSA-N
XLogP3.82
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.82
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloroethyl)-N-cyclohexyloctanamide
CID 63391554
N-(2-chloroethyl)-N-cyclobutyl-2-ethylbutanamide
CID 102872769
N-(3-amino-3-hydroxyiminopropyl)-N-cyclopropyl-3-methylpentanamide
CID 104982302
4-amino-N-cyclobutyl-N-(2-hydroxyethyl)-3-methylbutanamide
CID 102862103
N-(2-chloroethyl)-N-cyclopropylbutanamide
CID 63394479
N-(2-chloroethyl)-N,3-dicyclohexylpropanamide
CID 63391329
3-(aminomethyl)-N-cyclohexyl-N-(2-hydroxyethyl)pentanamide
CID 81086894
N-(2-chloroethyl)-2-cyclohexyl-N-cyclopropylacetamide
CID 63394887
N-(2-chloroethyl)-N-cyclopentylcyclohexanecarboxamide
CID 55187406
N-(2-chloroethyl)-N-cyclobutylcyclohexanecarboxamide
CID 102872561
N-(2-chloroethyl)-N-cyclobutyl-2-cyclopropylacetamide
CID 102872541
N-(2-chloroethyl)-N,2-di(cyclobutyl)acetamide
CID 103166954

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N-cyclohexyl-3-methylpentanamide?
The IUPAC name of N-(2-chloroethyl)-N-cyclohexyl-3-methylpentanamide (CID 114876819) is N-(2-chloroethyl)-N-cyclohexyl-3-methylpentanamide.
What is the SMILES notation for N-(2-chloroethyl)-N-cyclohexyl-3-methylpentanamide?
The canonical SMILES for N-(2-chloroethyl)-N-cyclohexyl-3-methylpentanamide is CCC(C)CC(=O)N(CCCl)C1CCCCC1.
What is the InChIKey of N-(2-chloroethyl)-N-cyclohexyl-3-methylpentanamide?
The InChIKey is HMFBGTFHGYRQMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26ClNO/c1-3-12(2)11-14(17)16(10-9-15)13-7-5-4-6-8-13/h12-13H,3-11H2,1-2H3.
What are the key properties of N-(2-chloroethyl)-N-cyclohexyl-3-methylpentanamide?
N-(2-chloroethyl)-N-cyclohexyl-3-methylpentanamide has a molecular weight of 259.82 g/mol, XLogP of 3.82, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N-cyclohexyl-3-methylpentanamide is sourced from PubChem (CID 114876819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).