N-[(1S)-4-tert-butylcyclohex-3-en-1-yl]acetamide

C12H21NO — CID 164769247

IUPACN-[(1S)-4-tert-butylcyclohex-3-en-1-yl]acetamide
SMILESCC(=O)N[C@@H]1CC=C(C(C)(C)C)CC1
InChIInChI=1S/C12H21NO/c1-9(14)13-11-7-5-10(6-8-11)12(2,3)4/h5,11H,6-8H2,1-4H3,(H,13,14)/t11-/m1/s1
InChIKeyYUKGKCJPTGBYEF-LLVKDONJSA-N
MW195.31 g/mol
LogP2.65
Rot. Bonds1

About N-[(1S)-4-tert-butylcyclohex-3-en-1-yl]acetamide

N-[(1S)-4-tert-butylcyclohex-3-en-1-yl]acetamide (PubChem CID 164769247) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is N-[(1S)-4-tert-butylcyclohex-3-en-1-yl]acetamide.

Molecular Properties

Compound NameN-[(1S)-4-tert-butylcyclohex-3-en-1-yl]acetamide
PubChem CID164769247
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC NameN-[(1S)-4-tert-butylcyclohex-3-en-1-yl]acetamide
SMILESCC(=O)N[C@@H]1CC=C(C(C)(C)C)CC1
InChIInChI=1S/C12H21NO/c1-9(14)13-11-7-5-10(6-8-11)12(2,3)4/h5,11H,6-8H2,1-4H3,(H,13,14)/t11-/m1/s1
InChIKeyYUKGKCJPTGBYEF-LLVKDONJSA-N
XLogP2.65
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(1R)-4-tert-butylcyclohex-3-en-1-yl]acetamide;N-[(1S)-4-tert-butylcyclohex-3-en-1-yl]acetamide;(1R)-4-tert-butyl-N-(2-methylpropyl)cyclohex-3-en-1-amine;(1S)-4-tert-butyl-N-(2-methylpropyl)cyclohex-3-en-1-amine
CID 164989491
4-tert-butyl-N-cyclopentyl-3,6-dihydro-2H-pyridine-1-carboxamide
CID 115774573
N-(1-tert-butylazetidin-3-yl)acetamide
CID 58877828
[(1S)-4-tert-butylcyclohex-3-en-1-yl] formate
CID 135271345
ethyl (4R)-4-acetamidocyclohexene-1-carboxylate;pentan-3-ol
CID 156890326
N-[3-(hydroxymethyl)cyclopent-3-en-1-yl]acetamide
CID 67797504
N-(6-oxocyclododecyl)acetamide
CID 117071051
1-tert-butyl-4-(4-tert-butylcyclohex-3-en-1-yl)benzene
CID 59509523
N-[(3aR,5R,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl]acetamide
CID 131102398
(3-hydroxy-2,3-dimethylbutan-2-yl)oxy-[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexen-1-yl]borinic acid
CID 91828065
N-[(1R,3R)-3-bromo-4-oxocyclohexyl]acetamide
CID 97107697
N-(4-cyclooctylcycloheptyl)acetamide
CID 170008813

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-4-tert-butylcyclohex-3-en-1-yl]acetamide?
The IUPAC name of N-[(1S)-4-tert-butylcyclohex-3-en-1-yl]acetamide (CID 164769247) is N-[(1S)-4-tert-butylcyclohex-3-en-1-yl]acetamide.
What is the SMILES notation for N-[(1S)-4-tert-butylcyclohex-3-en-1-yl]acetamide?
The canonical SMILES for N-[(1S)-4-tert-butylcyclohex-3-en-1-yl]acetamide is CC(=O)N[C@@H]1CC=C(C(C)(C)C)CC1.
What is the InChIKey of N-[(1S)-4-tert-butylcyclohex-3-en-1-yl]acetamide?
The InChIKey is YUKGKCJPTGBYEF-LLVKDONJSA-N. The full InChI is InChI=1S/C12H21NO/c1-9(14)13-11-7-5-10(6-8-11)12(2,3)4/h5,11H,6-8H2,1-4H3,(H,13,14)/t11-/m1/s1.
What are the key properties of N-[(1S)-4-tert-butylcyclohex-3-en-1-yl]acetamide?
N-[(1S)-4-tert-butylcyclohex-3-en-1-yl]acetamide has a molecular weight of 195.31 g/mol, XLogP of 2.65, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-4-tert-butylcyclohex-3-en-1-yl]acetamide is sourced from PubChem (CID 164769247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).