N-(2-chloro-3-ethylpentyl)-3-cyclohexylpropanamide

C16H30ClNO — CID 114168705

IUPACN-(2-chloro-3-ethylpentyl)-3-cyclohexylpropanamide
SMILESCCC(CC)C(Cl)CNC(=O)CCC1CCCCC1
InChIInChI=1S/C16H30ClNO/c1-3-14(4-2)15(17)12-18-16(19)11-10-13-8-6-5-7-9-13/h13-15H,3-12H2,1-2H3,(H,18,19)
InChIKeyDPBCFHNZJNBERO-UHFFFAOYSA-N
MW287.88 g/mol
LogP4.51
Rot. Bonds8

About N-(2-chloro-3-ethylpentyl)-3-cyclohexylpropanamide

N-(2-chloro-3-ethylpentyl)-3-cyclohexylpropanamide (PubChem CID 114168705) has the molecular formula C16H30ClNO and a molecular weight of 287.88 g/mol. Its IUPAC name is N-(2-chloro-3-ethylpentyl)-3-cyclohexylpropanamide.

Molecular Properties

Compound NameN-(2-chloro-3-ethylpentyl)-3-cyclohexylpropanamide
PubChem CID114168705
Molecular FormulaC16H30ClNO
Molecular Weight287.88 g/mol
Exact Mass287.20
IUPAC NameN-(2-chloro-3-ethylpentyl)-3-cyclohexylpropanamide
SMILESCCC(CC)C(Cl)CNC(=O)CCC1CCCCC1
InChIInChI=1S/C16H30ClNO/c1-3-14(4-2)15(17)12-18-16(19)11-10-13-8-6-5-7-9-13/h13-15H,3-12H2,1-2H3,(H,18,19)
InChIKeyDPBCFHNZJNBERO-UHFFFAOYSA-N
XLogP4.51
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.88
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-cyclopentyl-N-(2-methylpropyl)propanamide
CID 918369
N-(3-bromo-2-methylpropyl)-3-cyclohexylpropanamide
CID 114313527
3-cyclohexyl-N-[2-(methylamino)propyl]propanamide;hydrochloride
CID 120829047
3-cyclopentyl-N-[2-(2-hydroxyethyl)pentyl]propanamide
CID 113248441
N-(4-bromo-2-ethylbutyl)-3-cyclopentylpropanamide
CID 114317766
N-(2-amino-3-hydroxybutyl)-3-cyclohexylpropanamide
CID 64541698
N-(2-chloro-2-phenylethyl)-3-cyclohexylpropanamide
CID 114296062
3-(3-cyclopentylpropanoylamino)-2-hydroxypropanoic acid
CID 66164999
N-(2-chloroethyl)-3-cyclohexylpropanamide
CID 61288292
N-(2-chlorobutyl)-2-cycloheptylacetamide
CID 114459139
N-(4-chloropentyl)-3-cyclopentylpropanamide
CID 106129653
N-[[1-(2-chloroethyl)cyclopropyl]methyl]-3-cyclohexylpropanamide
CID 114757993

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-3-ethylpentyl)-3-cyclohexylpropanamide?
The IUPAC name of N-(2-chloro-3-ethylpentyl)-3-cyclohexylpropanamide (CID 114168705) is N-(2-chloro-3-ethylpentyl)-3-cyclohexylpropanamide.
What is the SMILES notation for N-(2-chloro-3-ethylpentyl)-3-cyclohexylpropanamide?
The canonical SMILES for N-(2-chloro-3-ethylpentyl)-3-cyclohexylpropanamide is CCC(CC)C(Cl)CNC(=O)CCC1CCCCC1.
What is the InChIKey of N-(2-chloro-3-ethylpentyl)-3-cyclohexylpropanamide?
The InChIKey is DPBCFHNZJNBERO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30ClNO/c1-3-14(4-2)15(17)12-18-16(19)11-10-13-8-6-5-7-9-13/h13-15H,3-12H2,1-2H3,(H,18,19).
What are the key properties of N-(2-chloro-3-ethylpentyl)-3-cyclohexylpropanamide?
N-(2-chloro-3-ethylpentyl)-3-cyclohexylpropanamide has a molecular weight of 287.88 g/mol, XLogP of 4.51, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-3-ethylpentyl)-3-cyclohexylpropanamide is sourced from PubChem (CID 114168705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).