N-(2,3-dimethylcyclohexyl)-2-[2-hydroxyethyl(methyl)amino]propanamide

C14H28N2O2 — CID 110880741

IUPACN-(2,3-dimethylcyclohexyl)-2-[2-hydroxyethyl(methyl)amino]propanamide
SMILESCC1CCCC(NC(=O)C(C)N(C)CCO)C1C
InChIInChI=1S/C14H28N2O2/c1-10-6-5-7-13(11(10)2)15-14(18)12(3)16(4)8-9-17/h10-13,17H,5-9H2,1-4H3,(H,15,18)
InChIKeyZVSJSGUOLOTLMK-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.24
Rot. Bonds5

About N-(2,3-dimethylcyclohexyl)-2-[2-hydroxyethyl(methyl)amino]propanamide

N-(2,3-dimethylcyclohexyl)-2-[2-hydroxyethyl(methyl)amino]propanamide (PubChem CID 110880741) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is N-(2,3-dimethylcyclohexyl)-2-[2-hydroxyethyl(methyl)amino]propanamide.

Molecular Properties

Compound NameN-(2,3-dimethylcyclohexyl)-2-[2-hydroxyethyl(methyl)amino]propanamide
PubChem CID110880741
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC NameN-(2,3-dimethylcyclohexyl)-2-[2-hydroxyethyl(methyl)amino]propanamide
SMILESCC1CCCC(NC(=O)C(C)N(C)CCO)C1C
InChIInChI=1S/C14H28N2O2/c1-10-6-5-7-13(11(10)2)15-14(18)12(3)16(4)8-9-17/h10-13,17H,5-9H2,1-4H3,(H,15,18)
InChIKeyZVSJSGUOLOTLMK-UHFFFAOYSA-N
XLogP1.24
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]-N-(2,3-dimethylcyclohexyl)propanamide
CID 55410555
(2R)-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]propanamide
CID 11934112
(2R)-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]propanamide
CID 11929484
4-[(2,3-dimethylcyclohexyl)amino]-2,3-dimethyl-4-oxobutanoic acid
CID 103496143
(2S)-2-amino-N-(2,3-dimethylcyclohexyl)-3-methylbutanamide
CID 61148874
(2R)-N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-2-[methyl-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]propanamide
CID 11929401
(2R)-N-[(1R,2S)-2-methylcyclohexyl]-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanamide
CID 9049858
2-[(2-hydroxycyclopentyl)methyl-methylamino]-N-(2-methylcyclohexyl)propanamide
CID 109398455
(2S)-2-amino-N-(2,3-dimethylcyclohexyl)butanamide
CID 79025321
(2R)-2-[[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylamino]-N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]propanamide
CID 11933754
N-(2,3-dimethylcyclohexyl)-2-(propan-2-ylamino)acetamide
CID 60648714
2-amino-N-(2,3-dimethylcyclohexyl)-3-methoxypropanamide
CID 81082305

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylcyclohexyl)-2-[2-hydroxyethyl(methyl)amino]propanamide?
The IUPAC name of N-(2,3-dimethylcyclohexyl)-2-[2-hydroxyethyl(methyl)amino]propanamide (CID 110880741) is N-(2,3-dimethylcyclohexyl)-2-[2-hydroxyethyl(methyl)amino]propanamide.
What is the SMILES notation for N-(2,3-dimethylcyclohexyl)-2-[2-hydroxyethyl(methyl)amino]propanamide?
The canonical SMILES for N-(2,3-dimethylcyclohexyl)-2-[2-hydroxyethyl(methyl)amino]propanamide is CC1CCCC(NC(=O)C(C)N(C)CCO)C1C.
What is the InChIKey of N-(2,3-dimethylcyclohexyl)-2-[2-hydroxyethyl(methyl)amino]propanamide?
The InChIKey is ZVSJSGUOLOTLMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-10-6-5-7-13(11(10)2)15-14(18)12(3)16(4)8-9-17/h10-13,17H,5-9H2,1-4H3,(H,15,18).
What are the key properties of N-(2,3-dimethylcyclohexyl)-2-[2-hydroxyethyl(methyl)amino]propanamide?
N-(2,3-dimethylcyclohexyl)-2-[2-hydroxyethyl(methyl)amino]propanamide has a molecular weight of 256.39 g/mol, XLogP of 1.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylcyclohexyl)-2-[2-hydroxyethyl(methyl)amino]propanamide is sourced from PubChem (CID 110880741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).