2-bromo-N-cyclohexyl-N-ethylpropanamide

C11H20BrNO — CID 82110731

IUPAC2-bromo-N-cyclohexyl-N-ethylpropanamide
SMILESCCN(C(=O)C(C)Br)C1CCCCC1
InChIInChI=1S/C11H20BrNO/c1-3-13(11(14)9(2)12)10-7-5-4-6-8-10/h9-10H,3-8H2,1-2H3
InChIKeyNJTMQVKXJFCMOC-UHFFFAOYSA-N
MW262.19 g/mol
LogP2.95
Rot. Bonds3

About 2-bromo-N-cyclohexyl-N-ethylpropanamide

2-bromo-N-cyclohexyl-N-ethylpropanamide (PubChem CID 82110731) has the molecular formula C11H20BrNO and a molecular weight of 262.19 g/mol. Its IUPAC name is 2-bromo-N-cyclohexyl-N-ethylpropanamide.

Molecular Properties

Compound Name2-bromo-N-cyclohexyl-N-ethylpropanamide
PubChem CID82110731
Molecular FormulaC11H20BrNO
Molecular Weight262.19 g/mol
Exact Mass261.07
IUPAC Name2-bromo-N-cyclohexyl-N-ethylpropanamide
SMILESCCN(C(=O)C(C)Br)C1CCCCC1
InChIInChI=1S/C11H20BrNO/c1-3-13(11(14)9(2)12)10-7-5-4-6-8-10/h9-10H,3-8H2,1-2H3
InChIKeyNJTMQVKXJFCMOC-UHFFFAOYSA-N
XLogP2.95
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.19
LogP ≤ 52.95
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

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2-amino-N-cyclohexyl-N-ethyl-3-methylbutanamide;hydrochloride
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2-bromo-N-cyclohexyl-N-methylpropanamide
CID 82110244
2-amino-N-cyclohexyl-N-ethylbutanamide
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2-amino-N-cyclohexyl-N-ethyl-4-methylpentanamide;hydrochloride
CID 71898432
2-(3-aminocyclohexyl)-N-cyclohexyl-N-ethylpropanamide
CID 106592635
2-amino-N-cyclohexyl-N-ethyl-3-methoxypropanamide
CID 81080942
N-cyclohexyl-N-ethylcyclobutanecarboxamide
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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-cyclohexyl-N-ethylpropanamide?
The IUPAC name of 2-bromo-N-cyclohexyl-N-ethylpropanamide (CID 82110731) is 2-bromo-N-cyclohexyl-N-ethylpropanamide.
What is the SMILES notation for 2-bromo-N-cyclohexyl-N-ethylpropanamide?
The canonical SMILES for 2-bromo-N-cyclohexyl-N-ethylpropanamide is CCN(C(=O)C(C)Br)C1CCCCC1.
What is the InChIKey of 2-bromo-N-cyclohexyl-N-ethylpropanamide?
The InChIKey is NJTMQVKXJFCMOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20BrNO/c1-3-13(11(14)9(2)12)10-7-5-4-6-8-10/h9-10H,3-8H2,1-2H3.
What are the key properties of 2-bromo-N-cyclohexyl-N-ethylpropanamide?
2-bromo-N-cyclohexyl-N-ethylpropanamide has a molecular weight of 262.19 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-cyclohexyl-N-ethylpropanamide is sourced from PubChem (CID 82110731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).