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

C15H28ClNO — CID 62727193

IUPAC3-chloro-2-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]propanamide
SMILESCCC(C)(C)C1CCC(NC(=O)C(C)CCl)CC1
InChIInChI=1S/C15H28ClNO/c1-5-15(3,4)12-6-8-13(9-7-12)17-14(18)11(2)10-16/h11-13H,5-10H2,1-4H3,(H,17,18)
InChIKeyOOTGDHXITRIGTF-UHFFFAOYSA-N
MW273.85 g/mol
LogP3.97
Rot. Bonds5

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

3-chloro-2-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]propanamide (PubChem CID 62727193) has the molecular formula C15H28ClNO and a molecular weight of 273.85 g/mol. Its IUPAC name is 3-chloro-2-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]propanamide.

Molecular Properties

Compound Name3-chloro-2-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]propanamide
PubChem CID62727193
Molecular FormulaC15H28ClNO
Molecular Weight273.85 g/mol
Exact Mass273.19
IUPAC Name3-chloro-2-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]propanamide
SMILESCCC(C)(C)C1CCC(NC(=O)C(C)CCl)CC1
InChIInChI=1S/C15H28ClNO/c1-5-15(3,4)12-6-8-13(9-7-12)17-14(18)11(2)10-16/h11-13H,5-10H2,1-4H3,(H,17,18)
InChIKeyOOTGDHXITRIGTF-UHFFFAOYSA-N
XLogP3.97
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.85
LogP ≤ 53.97
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

2-methyl-3-(methylamino)-N-[4-(2-methylbutan-2-yl)cyclohexyl]propanamide
CID 79195672
5-amino-2-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]pentanamide
CID 104683788
(2S)-2-amino-N-[4-(2-methylbutan-2-yl)cyclohexyl]propanamide;hydrochloride
CID 119272259
3-chloro-N-[4-(2-methylbutan-2-yl)cyclohexyl]propanamide
CID 43696457
(2R)-2-amino-3,3-dimethyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]butanamide
CID 103928588
N-[4-(2-methylbutan-2-yl)cyclohexyl]-2-propan-2-yloxyacetamide
CID 112686677
2-amino-3-methoxy-N-[4-(2-methylbutan-2-yl)cyclohexyl]propanamide;hydrochloride
CID 120983922
3-(cyclopropylamino)-N-[4-(2-methylbutan-2-yl)cyclohexyl]propanamide
CID 60867060
methyl 3-methyl-2-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]pentanoate
CID 43732303
(2R)-N-cyclobutyl-2-methylbutanamide
CID 129182523
4-methyl-2-[[[4-(2-methylbutan-2-yl)cyclohexyl]amino]methyl]pentanoic acid
CID 122127731
N-[4-(2-methylbutan-2-yl)cyclohexyl]-1,1-dioxothiane-4-carboxamide
CID 75407298

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]propanamide?
The IUPAC name of 3-chloro-2-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]propanamide (CID 62727193) is 3-chloro-2-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]propanamide.
What is the SMILES notation for 3-chloro-2-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]propanamide?
The canonical SMILES for 3-chloro-2-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]propanamide is CCC(C)(C)C1CCC(NC(=O)C(C)CCl)CC1.
What is the InChIKey of 3-chloro-2-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]propanamide?
The InChIKey is OOTGDHXITRIGTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28ClNO/c1-5-15(3,4)12-6-8-13(9-7-12)17-14(18)11(2)10-16/h11-13H,5-10H2,1-4H3,(H,17,18).
What are the key properties of 3-chloro-2-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]propanamide?
3-chloro-2-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]propanamide has a molecular weight of 273.85 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]propanamide is sourced from PubChem (CID 62727193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).