2-amino-N-(2,3-dimethylcyclohexyl)-3-methoxypropanamide

C12H24N2O2 — CID 81082305

IUPAC2-amino-N-(2,3-dimethylcyclohexyl)-3-methoxypropanamide
SMILESCOCC(N)C(=O)NC1CCCC(C)C1C
InChIInChI=1S/C12H24N2O2/c1-8-5-4-6-11(9(8)2)14-12(15)10(13)7-16-3/h8-11H,4-7,13H2,1-3H3,(H,14,15)
InChIKeyCPCWYFQKGSFCHN-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.90
Rot. Bonds4

About 2-amino-N-(2,3-dimethylcyclohexyl)-3-methoxypropanamide

2-amino-N-(2,3-dimethylcyclohexyl)-3-methoxypropanamide (PubChem CID 81082305) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 2-amino-N-(2,3-dimethylcyclohexyl)-3-methoxypropanamide.

Molecular Properties

Compound Name2-amino-N-(2,3-dimethylcyclohexyl)-3-methoxypropanamide
PubChem CID81082305
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name2-amino-N-(2,3-dimethylcyclohexyl)-3-methoxypropanamide
SMILESCOCC(N)C(=O)NC1CCCC(C)C1C
InChIInChI=1S/C12H24N2O2/c1-8-5-4-6-11(9(8)2)14-12(15)10(13)7-16-3/h8-11H,4-7,13H2,1-3H3,(H,14,15)
InChIKeyCPCWYFQKGSFCHN-UHFFFAOYSA-N
XLogP0.90
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-(2,3-dimethylcyclohexyl)butanamide
CID 79025321
2-amino-N-(2,3-dimethylcyclohexyl)pentanamide;hydrochloride
CID 119264133
2-amino-3-methoxy-N-(2-methoxycyclohexyl)propanamide;hydrochloride
CID 120990985
2-amino-N-(2,3-dimethylcyclopentyl)-5-methoxypentanamide
CID 81102327
(2S)-2-amino-N-(2,3-dimethylcyclohexyl)-3-methylbutanamide
CID 61148874
2-amino-N-cyclooctyl-3-methoxypropanamide
CID 81082114
2-amino-N-(2-methylcyclopentyl)butanamide
CID 63281650
2-amino-N-(2-cyclohexylcyclopropyl)-3-methoxypropanamide;hydrochloride
CID 120990869
(2S)-2-amino-4-methyl-N-(2-methylcyclopentyl)pentanamide
CID 63281509
2-amino-3-methoxy-N-(3-methylcyclopentyl)propanamide
CID 114546127
2-amino-N-(2-methylcyclopentyl)butanediamide
CID 63281841
2-amino-N-(cyclobutylmethyl)-3-methoxypropanamide
CID 81080963

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2,3-dimethylcyclohexyl)-3-methoxypropanamide?
The IUPAC name of 2-amino-N-(2,3-dimethylcyclohexyl)-3-methoxypropanamide (CID 81082305) is 2-amino-N-(2,3-dimethylcyclohexyl)-3-methoxypropanamide.
What is the SMILES notation for 2-amino-N-(2,3-dimethylcyclohexyl)-3-methoxypropanamide?
The canonical SMILES for 2-amino-N-(2,3-dimethylcyclohexyl)-3-methoxypropanamide is COCC(N)C(=O)NC1CCCC(C)C1C.
What is the InChIKey of 2-amino-N-(2,3-dimethylcyclohexyl)-3-methoxypropanamide?
The InChIKey is CPCWYFQKGSFCHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-8-5-4-6-11(9(8)2)14-12(15)10(13)7-16-3/h8-11H,4-7,13H2,1-3H3,(H,14,15).
What are the key properties of 2-amino-N-(2,3-dimethylcyclohexyl)-3-methoxypropanamide?
2-amino-N-(2,3-dimethylcyclohexyl)-3-methoxypropanamide has a molecular weight of 228.34 g/mol, XLogP of 0.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2,3-dimethylcyclohexyl)-3-methoxypropanamide is sourced from PubChem (CID 81082305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).