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

C14H24ClNO — CID 55186483

IUPACN-(2-chloroethyl)-3-cyclohexyl-N-cyclopropylpropanamide
SMILESO=C(CCC1CCCCC1)N(CCCl)C1CC1
InChIInChI=1S/C14H24ClNO/c15-10-11-16(13-7-8-13)14(17)9-6-12-4-2-1-3-5-12/h12-13H,1-11H2
InChIKeyVXPXPQAKNDWTAJ-UHFFFAOYSA-N
MW257.80 g/mol
LogP3.58
Rot. Bonds6

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

N-(2-chloroethyl)-3-cyclohexyl-N-cyclopropylpropanamide (PubChem CID 55186483) has the molecular formula C14H24ClNO and a molecular weight of 257.80 g/mol. Its IUPAC name is N-(2-chloroethyl)-3-cyclohexyl-N-cyclopropylpropanamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-3-cyclohexyl-N-cyclopropylpropanamide
PubChem CID55186483
Molecular FormulaC14H24ClNO
Molecular Weight257.80 g/mol
Exact Mass257.15
IUPAC NameN-(2-chloroethyl)-3-cyclohexyl-N-cyclopropylpropanamide
SMILESO=C(CCC1CCCCC1)N(CCCl)C1CC1
InChIInChI=1S/C14H24ClNO/c15-10-11-16(13-7-8-13)14(17)9-6-12-4-2-1-3-5-12/h12-13H,1-11H2
InChIKeyVXPXPQAKNDWTAJ-UHFFFAOYSA-N
XLogP3.58
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.80
LogP ≤ 53.58
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)-3-cyclopentyl-N-cyclopropylpropanamide
CID 63394667
N-(2-chloroethyl)-N,3-dicyclohexylpropanamide
CID 63391329
N-(2-chloroethyl)-2-cyclohexyl-N-cyclopropylacetamide
CID 63394887
2-[3-cyclohexylpropanoyl(cyclopropyl)amino]acetic acid
CID 54946141
N-(2-bromoethyl)-N-cyclobutyl-3-cyclopentylpropanamide
CID 102873270
N-(3-bromopropyl)-N-cyclobutyl-3-cyclopentylpropanamide
CID 102872516
N-(2-chloroethyl)-N-cyclopropylbutanamide
CID 63394479
N-(2-chloroethyl)-N,2-di(cyclobutyl)acetamide
CID 103166954
N-(2-chloroethyl)-3-cyclopentyl-N-propan-2-ylpropanamide
CID 63393802
N-(2-chloroethyl)-N-cyclohexyloctanamide
CID 63391554
N-(azetidin-3-yl)-3-cyclohexyl-N-ethylpropanamide
CID 66182762
3-cyclohexyl-N-cyclopropyl-N-(piperidin-3-ylmethyl)propanamide
CID 106628725

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-3-cyclohexyl-N-cyclopropylpropanamide?
The IUPAC name of N-(2-chloroethyl)-3-cyclohexyl-N-cyclopropylpropanamide (CID 55186483) is N-(2-chloroethyl)-3-cyclohexyl-N-cyclopropylpropanamide.
What is the SMILES notation for N-(2-chloroethyl)-3-cyclohexyl-N-cyclopropylpropanamide?
The canonical SMILES for N-(2-chloroethyl)-3-cyclohexyl-N-cyclopropylpropanamide is O=C(CCC1CCCCC1)N(CCCl)C1CC1.
What is the InChIKey of N-(2-chloroethyl)-3-cyclohexyl-N-cyclopropylpropanamide?
The InChIKey is VXPXPQAKNDWTAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24ClNO/c15-10-11-16(13-7-8-13)14(17)9-6-12-4-2-1-3-5-12/h12-13H,1-11H2.
What are the key properties of N-(2-chloroethyl)-3-cyclohexyl-N-cyclopropylpropanamide?
N-(2-chloroethyl)-3-cyclohexyl-N-cyclopropylpropanamide has a molecular weight of 257.80 g/mol, XLogP of 3.58, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-3-cyclohexyl-N-cyclopropylpropanamide is sourced from PubChem (CID 55186483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).