N-(2-chloroethyl)-N,3-dicyclohexylpropanamide

C17H30ClNO — CID 63391329

IUPACN-(2-chloroethyl)-N,3-dicyclohexylpropanamide
SMILESO=C(CCC1CCCCC1)N(CCCl)C1CCCCC1
InChIInChI=1S/C17H30ClNO/c18-13-14-19(16-9-5-2-6-10-16)17(20)12-11-15-7-3-1-4-8-15/h15-16H,1-14H2
InChIKeyQRHNLALTFYNCAT-UHFFFAOYSA-N
MW299.89 g/mol
LogP4.75
Rot. Bonds6

About N-(2-chloroethyl)-N,3-dicyclohexylpropanamide

N-(2-chloroethyl)-N,3-dicyclohexylpropanamide (PubChem CID 63391329) has the molecular formula C17H30ClNO and a molecular weight of 299.89 g/mol. Its IUPAC name is N-(2-chloroethyl)-N,3-dicyclohexylpropanamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-N,3-dicyclohexylpropanamide
PubChem CID63391329
Molecular FormulaC17H30ClNO
Molecular Weight299.89 g/mol
Exact Mass299.20
IUPAC NameN-(2-chloroethyl)-N,3-dicyclohexylpropanamide
SMILESO=C(CCC1CCCCC1)N(CCCl)C1CCCCC1
InChIInChI=1S/C17H30ClNO/c18-13-14-19(16-9-5-2-6-10-16)17(20)12-11-15-7-3-1-4-8-15/h15-16H,1-14H2
InChIKeyQRHNLALTFYNCAT-UHFFFAOYSA-N
XLogP4.75
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.89
LogP ≤ 54.75
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-cyclohexyl-N-cyclopropylpropanamide
CID 55186483
N-(2-chloroethyl)-3-cyclopentyl-N-cyclopropylpropanamide
CID 63394667
N-(2-bromoethyl)-N-cyclobutyl-3-cyclopentylpropanamide
CID 102873270
N-(3-bromopropyl)-N-cyclobutyl-3-cyclopentylpropanamide
CID 102872516
N-(2-chloroethyl)-2-cyclohexyl-N-cyclopropylacetamide
CID 63394887
N-(2-chloroethyl)-N,2-di(cyclobutyl)acetamide
CID 103166954
2-[3-cyclohexylpropanoyl(cyclopropyl)amino]acetic acid
CID 54946141
N-(2-chloroethyl)-N-cyclohexyloctanamide
CID 63391554
N-cyclohexyl-3-cyclopentyl-N-methylpropanamide
CID 86976959
N-(2-chloroethyl)-N-cyclobutyl-2-cyclopropylacetamide
CID 102872541
N-(2-chloroethyl)-3-cyclopentyl-N-propan-2-ylpropanamide
CID 63393802
3-(4-aminocyclohexyl)-N-cyclobutyl-N-(2-hydroxyethyl)propanamide
CID 102871199

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N,3-dicyclohexylpropanamide?
The IUPAC name of N-(2-chloroethyl)-N,3-dicyclohexylpropanamide (CID 63391329) is N-(2-chloroethyl)-N,3-dicyclohexylpropanamide.
What is the SMILES notation for N-(2-chloroethyl)-N,3-dicyclohexylpropanamide?
The canonical SMILES for N-(2-chloroethyl)-N,3-dicyclohexylpropanamide is O=C(CCC1CCCCC1)N(CCCl)C1CCCCC1.
What is the InChIKey of N-(2-chloroethyl)-N,3-dicyclohexylpropanamide?
The InChIKey is QRHNLALTFYNCAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30ClNO/c18-13-14-19(16-9-5-2-6-10-16)17(20)12-11-15-7-3-1-4-8-15/h15-16H,1-14H2.
What are the key properties of N-(2-chloroethyl)-N,3-dicyclohexylpropanamide?
N-(2-chloroethyl)-N,3-dicyclohexylpropanamide has a molecular weight of 299.89 g/mol, XLogP of 4.75, 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,3-dicyclohexylpropanamide is sourced from PubChem (CID 63391329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).