N-(1-bromo-2-methylpropan-2-yl)-4-butyl-N-methylcyclohexane-1-carboxamide

C16H30BrNO — CID 113476620

IUPACN-(1-bromo-2-methylpropan-2-yl)-4-butyl-N-methylcyclohexane-1-carboxamide
SMILESCCCCC1CCC(C(=O)N(C)C(C)(C)CBr)CC1
InChIInChI=1S/C16H30BrNO/c1-5-6-7-13-8-10-14(11-9-13)15(19)18(4)16(2,3)12-17/h13-14H,5-12H2,1-4H3
InChIKeyNTHNLWLQPOZDEQ-UHFFFAOYSA-N
MW332.33 g/mol
LogP4.61
Rot. Bonds6

About N-(1-bromo-2-methylpropan-2-yl)-4-butyl-N-methylcyclohexane-1-carboxamide

N-(1-bromo-2-methylpropan-2-yl)-4-butyl-N-methylcyclohexane-1-carboxamide (PubChem CID 113476620) has the molecular formula C16H30BrNO and a molecular weight of 332.33 g/mol. Its IUPAC name is N-(1-bromo-2-methylpropan-2-yl)-4-butyl-N-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(1-bromo-2-methylpropan-2-yl)-4-butyl-N-methylcyclohexane-1-carboxamide
PubChem CID113476620
Molecular FormulaC16H30BrNO
Molecular Weight332.33 g/mol
Exact Mass331.15
IUPAC NameN-(1-bromo-2-methylpropan-2-yl)-4-butyl-N-methylcyclohexane-1-carboxamide
SMILESCCCCC1CCC(C(=O)N(C)C(C)(C)CBr)CC1
InChIInChI=1S/C16H30BrNO/c1-5-6-7-13-8-10-14(11-9-13)15(19)18(4)16(2,3)12-17/h13-14H,5-12H2,1-4H3
InChIKeyNTHNLWLQPOZDEQ-UHFFFAOYSA-N
XLogP4.61
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.33
LogP ≤ 54.61
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

N-(2-bromopropyl)-4-butyl-N-methylcyclohexane-1-carboxamide
CID 80665597
4-butyl-N-methoxy-N-methylcyclohexane-1-carboxamide
CID 60644673
4-butylcyclohexane-1-carbohydrazide
CID 2063620
methyl 3-[(4-butylcyclohexanecarbonyl)-methylamino]propanoate
CID 61030682
N-(2-aminocyclohexyl)-4-butyl-N-methylcyclohexane-1-carboxamide
CID 102639138
N-(2-aminoethyl)-4-butyl-N-ethylcyclohexane-1-carboxamide
CID 61349316
N-(2-amino-2-methylpropyl)-4-butylcyclohexane-1-carboxamide
CID 81482758
2-[(4-butylcyclohexanecarbonyl)amino]-2-cyclopropylpropanoic acid
CID 43341292
4-butyl-N-(3-chloropropyl)-N-cyclobutylcyclohexane-1-carboxamide
CID 102871981
N-(2-amino-2-methylpropyl)-4-butylcyclohexane-1-carboxamide;hydrochloride
CID 119629586
N-(1-bromopropan-2-yl)-4-butylcyclohexane-1-carboxamide
CID 114310551
1-(4-pentylcyclohexyl)ethanone
CID 13278013

Frequently Asked Questions

What is the IUPAC name of N-(1-bromo-2-methylpropan-2-yl)-4-butyl-N-methylcyclohexane-1-carboxamide?
The IUPAC name of N-(1-bromo-2-methylpropan-2-yl)-4-butyl-N-methylcyclohexane-1-carboxamide (CID 113476620) is N-(1-bromo-2-methylpropan-2-yl)-4-butyl-N-methylcyclohexane-1-carboxamide.
What is the SMILES notation for N-(1-bromo-2-methylpropan-2-yl)-4-butyl-N-methylcyclohexane-1-carboxamide?
The canonical SMILES for N-(1-bromo-2-methylpropan-2-yl)-4-butyl-N-methylcyclohexane-1-carboxamide is CCCCC1CCC(C(=O)N(C)C(C)(C)CBr)CC1.
What is the InChIKey of N-(1-bromo-2-methylpropan-2-yl)-4-butyl-N-methylcyclohexane-1-carboxamide?
The InChIKey is NTHNLWLQPOZDEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30BrNO/c1-5-6-7-13-8-10-14(11-9-13)15(19)18(4)16(2,3)12-17/h13-14H,5-12H2,1-4H3.
What are the key properties of N-(1-bromo-2-methylpropan-2-yl)-4-butyl-N-methylcyclohexane-1-carboxamide?
N-(1-bromo-2-methylpropan-2-yl)-4-butyl-N-methylcyclohexane-1-carboxamide has a molecular weight of 332.33 g/mol, XLogP of 4.61, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bromo-2-methylpropan-2-yl)-4-butyl-N-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 113476620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).