3-chloro-N-[4-(2-methylbutan-2-yl)cyclohexyl]propanamide

C14H26ClNO — CID 43696457

IUPAC3-chloro-N-[4-(2-methylbutan-2-yl)cyclohexyl]propanamide
SMILESCCC(C)(C)C1CCC(NC(=O)CCCl)CC1
InChIInChI=1S/C14H26ClNO/c1-4-14(2,3)11-5-7-12(8-6-11)16-13(17)9-10-15/h11-12H,4-10H2,1-3H3,(H,16,17)
InChIKeyWDAXVVWZZOIOMX-UHFFFAOYSA-N
MW259.82 g/mol
LogP3.73
Rot. Bonds5

About 3-chloro-N-[4-(2-methylbutan-2-yl)cyclohexyl]propanamide

3-chloro-N-[4-(2-methylbutan-2-yl)cyclohexyl]propanamide (PubChem CID 43696457) has the molecular formula C14H26ClNO and a molecular weight of 259.82 g/mol. Its IUPAC name is 3-chloro-N-[4-(2-methylbutan-2-yl)cyclohexyl]propanamide.

Molecular Properties

Compound Name3-chloro-N-[4-(2-methylbutan-2-yl)cyclohexyl]propanamide
PubChem CID43696457
Molecular FormulaC14H26ClNO
Molecular Weight259.82 g/mol
Exact Mass259.17
IUPAC Name3-chloro-N-[4-(2-methylbutan-2-yl)cyclohexyl]propanamide
SMILESCCC(C)(C)C1CCC(NC(=O)CCCl)CC1
InChIInChI=1S/C14H26ClNO/c1-4-14(2,3)11-5-7-12(8-6-11)16-13(17)9-10-15/h11-12H,4-10H2,1-3H3,(H,16,17)
InChIKeyWDAXVVWZZOIOMX-UHFFFAOYSA-N
XLogP3.73
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.82
LogP ≤ 53.73
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

3-(cyclopropylamino)-N-[4-(2-methylbutan-2-yl)cyclohexyl]propanamide
CID 60867060
7-amino-N-[4-(2-methylbutan-2-yl)cyclohexyl]heptanamide
CID 43698547
3-chloro-N-[4-(trifluoromethyl)cyclohexyl]propanamide
CID 43701255
3-chloro-2-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]propanamide
CID 62727193
N-[4-(2-methylbutan-2-yl)cyclohexyl]-2-propan-2-yloxyacetamide
CID 112686677
3-(2,5-dioxoimidazolidin-4-yl)-N-[4-(2-methylbutan-2-yl)cyclohexyl]propanamide
CID 51073460
3-chloro-N-cycloheptylpropanamide
CID 5152151
(2R)-2-amino-3,3-dimethyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]butanamide
CID 103928588
(2S)-2-amino-N-[4-(2-methylbutan-2-yl)cyclohexyl]propanamide;hydrochloride
CID 119272259
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(2-methylbutan-2-yl)cyclohexyl]acetamide
CID 119691461
2-methyl-3-(methylamino)-N-[4-(2-methylbutan-2-yl)cyclohexyl]propanamide
CID 79195672
4-chloro-N-cyclopropylbutanamide
CID 5152347

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[4-(2-methylbutan-2-yl)cyclohexyl]propanamide?
The IUPAC name of 3-chloro-N-[4-(2-methylbutan-2-yl)cyclohexyl]propanamide (CID 43696457) is 3-chloro-N-[4-(2-methylbutan-2-yl)cyclohexyl]propanamide.
What is the SMILES notation for 3-chloro-N-[4-(2-methylbutan-2-yl)cyclohexyl]propanamide?
The canonical SMILES for 3-chloro-N-[4-(2-methylbutan-2-yl)cyclohexyl]propanamide is CCC(C)(C)C1CCC(NC(=O)CCCl)CC1.
What is the InChIKey of 3-chloro-N-[4-(2-methylbutan-2-yl)cyclohexyl]propanamide?
The InChIKey is WDAXVVWZZOIOMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26ClNO/c1-4-14(2,3)11-5-7-12(8-6-11)16-13(17)9-10-15/h11-12H,4-10H2,1-3H3,(H,16,17).
What are the key properties of 3-chloro-N-[4-(2-methylbutan-2-yl)cyclohexyl]propanamide?
3-chloro-N-[4-(2-methylbutan-2-yl)cyclohexyl]propanamide has a molecular weight of 259.82 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[4-(2-methylbutan-2-yl)cyclohexyl]propanamide is sourced from PubChem (CID 43696457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).