N-(2-chloroethyl)-2-cyclohexyl-N-cyclopropylacetamide

C13H22ClNO — CID 63394887

IUPACN-(2-chloroethyl)-2-cyclohexyl-N-cyclopropylacetamide
SMILESO=C(CC1CCCCC1)N(CCCl)C1CC1
InChIInChI=1S/C13H22ClNO/c14-8-9-15(12-6-7-12)13(16)10-11-4-2-1-3-5-11/h11-12H,1-10H2
InChIKeyMMJICUOJBNJWGP-UHFFFAOYSA-N
MW243.78 g/mol
LogP3.19
Rot. Bonds5

About N-(2-chloroethyl)-2-cyclohexyl-N-cyclopropylacetamide

N-(2-chloroethyl)-2-cyclohexyl-N-cyclopropylacetamide (PubChem CID 63394887) has the molecular formula C13H22ClNO and a molecular weight of 243.78 g/mol. Its IUPAC name is N-(2-chloroethyl)-2-cyclohexyl-N-cyclopropylacetamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-2-cyclohexyl-N-cyclopropylacetamide
PubChem CID63394887
Molecular FormulaC13H22ClNO
Molecular Weight243.78 g/mol
Exact Mass243.14
IUPAC NameN-(2-chloroethyl)-2-cyclohexyl-N-cyclopropylacetamide
SMILESO=C(CC1CCCCC1)N(CCCl)C1CC1
InChIInChI=1S/C13H22ClNO/c14-8-9-15(12-6-7-12)13(16)10-11-4-2-1-3-5-11/h11-12H,1-10H2
InChIKeyMMJICUOJBNJWGP-UHFFFAOYSA-N
XLogP3.19
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.78
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-2-cyclohexyl-N-cyclopropylacetamide?
The IUPAC name of N-(2-chloroethyl)-2-cyclohexyl-N-cyclopropylacetamide (CID 63394887) is N-(2-chloroethyl)-2-cyclohexyl-N-cyclopropylacetamide.
What is the SMILES notation for N-(2-chloroethyl)-2-cyclohexyl-N-cyclopropylacetamide?
The canonical SMILES for N-(2-chloroethyl)-2-cyclohexyl-N-cyclopropylacetamide is O=C(CC1CCCCC1)N(CCCl)C1CC1.
What is the InChIKey of N-(2-chloroethyl)-2-cyclohexyl-N-cyclopropylacetamide?
The InChIKey is MMJICUOJBNJWGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClNO/c14-8-9-15(12-6-7-12)13(16)10-11-4-2-1-3-5-11/h11-12H,1-10H2.
What are the key properties of N-(2-chloroethyl)-2-cyclohexyl-N-cyclopropylacetamide?
N-(2-chloroethyl)-2-cyclohexyl-N-cyclopropylacetamide has a molecular weight of 243.78 g/mol, XLogP of 3.19, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-2-cyclohexyl-N-cyclopropylacetamide is sourced from PubChem (CID 63394887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).