N-[(2-bromocyclopentyl)methyl]-4-tert-butylcyclohexane-1-carboxamide

C17H30BrNO — CID 114313834

IUPACN-[(2-bromocyclopentyl)methyl]-4-tert-butylcyclohexane-1-carboxamide
SMILESCC(C)(C)C1CCC(C(=O)NCC2CCCC2Br)CC1
InChIInChI=1S/C17H30BrNO/c1-17(2,3)14-9-7-12(8-10-14)16(20)19-11-13-5-4-6-15(13)18/h12-15H,4-11H2,1-3H3,(H,19,20)
InChIKeyKINQJTKTQMVKGW-UHFFFAOYSA-N
MW344.34 g/mol
LogP4.52
Rot. Bonds3

About N-[(2-bromocyclopentyl)methyl]-4-tert-butylcyclohexane-1-carboxamide

N-[(2-bromocyclopentyl)methyl]-4-tert-butylcyclohexane-1-carboxamide (PubChem CID 114313834) has the molecular formula C17H30BrNO and a molecular weight of 344.34 g/mol. Its IUPAC name is N-[(2-bromocyclopentyl)methyl]-4-tert-butylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[(2-bromocyclopentyl)methyl]-4-tert-butylcyclohexane-1-carboxamide
PubChem CID114313834
Molecular FormulaC17H30BrNO
Molecular Weight344.34 g/mol
Exact Mass343.15
IUPAC NameN-[(2-bromocyclopentyl)methyl]-4-tert-butylcyclohexane-1-carboxamide
SMILESCC(C)(C)C1CCC(C(=O)NCC2CCCC2Br)CC1
InChIInChI=1S/C17H30BrNO/c1-17(2,3)14-9-7-12(8-10-14)16(20)19-11-13-5-4-6-15(13)18/h12-15H,4-11H2,1-3H3,(H,19,20)
InChIKeyKINQJTKTQMVKGW-UHFFFAOYSA-N
XLogP4.52
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.34
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[(2-bromocyclopentyl)methyl]-4-tert-butylcyclohexane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2-bromocyclopentyl)methyl]cyclopropanecarboxamide
CID 114313732
4-tert-butyl-N-[[2-(chloromethyl)cyclopentyl]methyl]cyclohexane-1-carboxamide
CID 114306766
N-[(2-bromocyclopentyl)methyl]oxolane-3-carboxamide
CID 114313897
tert-butyl N-[(2-bromocyclopentyl)methyl]carbamate
CID 114313805
N-[(2-bromocyclopentyl)methyl]-2,3-dihydro-1H-indene-2-carboxamide
CID 106894271
N-[(2-bromocyclohexyl)methyl]acetamide
CID 114312171
N-[(3-aminocyclopentyl)methyl]-4-tert-butylcyclohexane-1-carboxamide
CID 106121672
N-[(2-bromocyclopentyl)methyl]-2-methyl-2-methylsulfonylpropanamide
CID 114313788
4-tert-butyl-N-(cyanomethyl)cyclohexane-1-carboxamide
CID 62400506
N-[2-[(4-tert-butylcyclohexyl)methylamino]ethyl]cyclopropanecarboxamide
CID 115647673
N-(cyclobutylmethyl)cyclopropanecarboxamide
CID 60757387
4-tert-butyl-N-[(2S)-2-hydroxypropyl]cyclohexane-1-carboxamide
CID 83030657

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromocyclopentyl)methyl]-4-tert-butylcyclohexane-1-carboxamide?
The IUPAC name of N-[(2-bromocyclopentyl)methyl]-4-tert-butylcyclohexane-1-carboxamide (CID 114313834) is N-[(2-bromocyclopentyl)methyl]-4-tert-butylcyclohexane-1-carboxamide.
What is the SMILES notation for N-[(2-bromocyclopentyl)methyl]-4-tert-butylcyclohexane-1-carboxamide?
The canonical SMILES for N-[(2-bromocyclopentyl)methyl]-4-tert-butylcyclohexane-1-carboxamide is CC(C)(C)C1CCC(C(=O)NCC2CCCC2Br)CC1.
What is the InChIKey of N-[(2-bromocyclopentyl)methyl]-4-tert-butylcyclohexane-1-carboxamide?
The InChIKey is KINQJTKTQMVKGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30BrNO/c1-17(2,3)14-9-7-12(8-10-14)16(20)19-11-13-5-4-6-15(13)18/h12-15H,4-11H2,1-3H3,(H,19,20).
What are the key properties of N-[(2-bromocyclopentyl)methyl]-4-tert-butylcyclohexane-1-carboxamide?
N-[(2-bromocyclopentyl)methyl]-4-tert-butylcyclohexane-1-carboxamide has a molecular weight of 344.34 g/mol, XLogP of 4.52, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromocyclopentyl)methyl]-4-tert-butylcyclohexane-1-carboxamide is sourced from PubChem (CID 114313834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).