N-(2-bromo-3-ethylpentyl)cyclohexanecarboxamide

C14H26BrNO — CID 106288109

IUPACN-(2-bromo-3-ethylpentyl)cyclohexanecarboxamide
SMILESCCC(CC)C(Br)CNC(=O)C1CCCCC1
InChIInChI=1S/C14H26BrNO/c1-3-11(4-2)13(15)10-16-14(17)12-8-6-5-7-9-12/h11-13H,3-10H2,1-2H3,(H,16,17)
InChIKeyWSRGVYGOQFVEPK-UHFFFAOYSA-N
MW304.27 g/mol
LogP3.88
Rot. Bonds6

About N-(2-bromo-3-ethylpentyl)cyclohexanecarboxamide

N-(2-bromo-3-ethylpentyl)cyclohexanecarboxamide (PubChem CID 106288109) has the molecular formula C14H26BrNO and a molecular weight of 304.27 g/mol. Its IUPAC name is N-(2-bromo-3-ethylpentyl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(2-bromo-3-ethylpentyl)cyclohexanecarboxamide
PubChem CID106288109
Molecular FormulaC14H26BrNO
Molecular Weight304.27 g/mol
Exact Mass303.12
IUPAC NameN-(2-bromo-3-ethylpentyl)cyclohexanecarboxamide
SMILESCCC(CC)C(Br)CNC(=O)C1CCCCC1
InChIInChI=1S/C14H26BrNO/c1-3-11(4-2)13(15)10-16-14(17)12-8-6-5-7-9-12/h11-13H,3-10H2,1-2H3,(H,16,17)
InChIKeyWSRGVYGOQFVEPK-UHFFFAOYSA-N
XLogP3.88
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.27
LogP ≤ 53.88
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

N-(2-amino-3-ethylpentyl)cyclopentanecarboxamide
CID 106285963
N-(2-bromo-3-ethylpentyl)-3,3-difluorocyclopentane-1-carboxamide
CID 114226698
N-(2-bromo-3-ethylpentyl)-4-butylcyclohexane-1-carboxamide
CID 106288113
N-(2-methylpropyl)cyclooctanecarboxamide
CID 65022959
N-(3-bromo-2-methylpropyl)cyclooctanecarboxamide
CID 114313551
methyl 2-bromo-3-(cyclohexanecarbonylamino)propanoate
CID 103492560
methyl 2-bromo-3-(cyclooctanecarbonylamino)propanoate
CID 103492357
N-(2-amino-3-hydroxybutyl)cycloheptanecarboxamide
CID 64539549
N-(2-cyanopropyl)cyclooctanecarboxamide
CID 65018661
N-(2-chloropropyl)cyclopentanecarboxamide
CID 114296250
N-(2-amino-4-methylpentyl)cyclooctanecarboxamide
CID 107158623
N-(4-bromo-2-methylbutyl)cyclopentanecarboxamide
CID 114316713

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-3-ethylpentyl)cyclohexanecarboxamide?
The IUPAC name of N-(2-bromo-3-ethylpentyl)cyclohexanecarboxamide (CID 106288109) is N-(2-bromo-3-ethylpentyl)cyclohexanecarboxamide.
What is the SMILES notation for N-(2-bromo-3-ethylpentyl)cyclohexanecarboxamide?
The canonical SMILES for N-(2-bromo-3-ethylpentyl)cyclohexanecarboxamide is CCC(CC)C(Br)CNC(=O)C1CCCCC1.
What is the InChIKey of N-(2-bromo-3-ethylpentyl)cyclohexanecarboxamide?
The InChIKey is WSRGVYGOQFVEPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26BrNO/c1-3-11(4-2)13(15)10-16-14(17)12-8-6-5-7-9-12/h11-13H,3-10H2,1-2H3,(H,16,17).
What are the key properties of N-(2-bromo-3-ethylpentyl)cyclohexanecarboxamide?
N-(2-bromo-3-ethylpentyl)cyclohexanecarboxamide has a molecular weight of 304.27 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-3-ethylpentyl)cyclohexanecarboxamide is sourced from PubChem (CID 106288109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).