N-(1-bromopropan-2-yl)-4-butylcyclohexane-1-carboxamide

C14H26BrNO — CID 114310551

IUPACN-(1-bromopropan-2-yl)-4-butylcyclohexane-1-carboxamide
SMILESCCCCC1CCC(C(=O)NC(C)CBr)CC1
InChIInChI=1S/C14H26BrNO/c1-3-4-5-12-6-8-13(9-7-12)14(17)16-11(2)10-15/h11-13H,3-10H2,1-2H3,(H,16,17)
InChIKeyDPLFYILKTFHKAY-UHFFFAOYSA-N
MW304.27 g/mol
LogP3.88
Rot. Bonds6

About N-(1-bromopropan-2-yl)-4-butylcyclohexane-1-carboxamide

N-(1-bromopropan-2-yl)-4-butylcyclohexane-1-carboxamide (PubChem CID 114310551) has the molecular formula C14H26BrNO and a molecular weight of 304.27 g/mol. Its IUPAC name is N-(1-bromopropan-2-yl)-4-butylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(1-bromopropan-2-yl)-4-butylcyclohexane-1-carboxamide
PubChem CID114310551
Molecular FormulaC14H26BrNO
Molecular Weight304.27 g/mol
Exact Mass303.12
IUPAC NameN-(1-bromopropan-2-yl)-4-butylcyclohexane-1-carboxamide
SMILESCCCCC1CCC(C(=O)NC(C)CBr)CC1
InChIInChI=1S/C14H26BrNO/c1-3-4-5-12-6-8-13(9-7-12)14(17)16-11(2)10-15/h11-13H,3-10H2,1-2H3,(H,16,17)
InChIKeyDPLFYILKTFHKAY-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-(5-bromopentan-2-yl)-4-butylcyclohexane-1-carboxamide
CID 113276065
4-butyl-N-(4-chlorobutan-2-yl)cyclohexane-1-carboxamide
CID 83180503
4-butyl-N-(4-methylpent-1-yn-3-yl)cyclohexane-1-carboxamide
CID 114202471
(2R)-2-[(4-butylcyclohexanecarbonyl)amino]pentanoic acid
CID 107563614
N-(1-amino-4-methylpentan-2-yl)-4-butylcyclohexane-1-carboxamide
CID 63754544
4-butylcyclohexane-1-carbohydrazide
CID 2063620
N-(3-bromobutyl)-4-butylcyclohexane-1-carboxamide
CID 114312510
3-methyl-2-[(4-pentylcyclohexanecarbonyl)amino]butanoic acid
CID 22422561
N-pentan-2-ylcyclopropanecarboxamide
CID 43889322
N-heptan-2-yl-4-methylcyclohexane-1-carboxamide
CID 143290950
N-(2-amino-2-methylpropyl)-4-butylcyclohexane-1-carboxamide;hydrochloride
CID 119629586
propan-2-yl 2-[(4-butylcyclohexanecarbonyl)amino]acetate
CID 56551069

Frequently Asked Questions

What is the IUPAC name of N-(1-bromopropan-2-yl)-4-butylcyclohexane-1-carboxamide?
The IUPAC name of N-(1-bromopropan-2-yl)-4-butylcyclohexane-1-carboxamide (CID 114310551) is N-(1-bromopropan-2-yl)-4-butylcyclohexane-1-carboxamide.
What is the SMILES notation for N-(1-bromopropan-2-yl)-4-butylcyclohexane-1-carboxamide?
The canonical SMILES for N-(1-bromopropan-2-yl)-4-butylcyclohexane-1-carboxamide is CCCCC1CCC(C(=O)NC(C)CBr)CC1.
What is the InChIKey of N-(1-bromopropan-2-yl)-4-butylcyclohexane-1-carboxamide?
The InChIKey is DPLFYILKTFHKAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26BrNO/c1-3-4-5-12-6-8-13(9-7-12)14(17)16-11(2)10-15/h11-13H,3-10H2,1-2H3,(H,16,17).
What are the key properties of N-(1-bromopropan-2-yl)-4-butylcyclohexane-1-carboxamide?
N-(1-bromopropan-2-yl)-4-butylcyclohexane-1-carboxamide 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-(1-bromopropan-2-yl)-4-butylcyclohexane-1-carboxamide is sourced from PubChem (CID 114310551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).