(2S)-2-amino-N-cyclobutyl-2-[4-(hydroxymethyl)cyclohexyl]-N-methylacetamide

C14H26N2O2 — CID 70337489

IUPAC(2S)-2-amino-N-cyclobutyl-2-[4-(hydroxymethyl)cyclohexyl]-N-methylacetamide
SMILESCN(C(=O)[C@@H](N)C1CCC(CO)CC1)C1CCC1
InChIInChI=1S/C14H26N2O2/c1-16(12-3-2-4-12)14(18)13(15)11-7-5-10(9-17)6-8-11/h10-13,17H,2-9,15H2,1H3/t10?,11?,13-/m0/s1
InChIKeyXBOZQYZSLOKFRZ-XIVSLSHWSA-N
MW254.37 g/mol
LogP1.12
Rot. Bonds4

About (2S)-2-amino-N-cyclobutyl-2-[4-(hydroxymethyl)cyclohexyl]-N-methylacetamide

(2S)-2-amino-N-cyclobutyl-2-[4-(hydroxymethyl)cyclohexyl]-N-methylacetamide (PubChem CID 70337489) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is (2S)-2-amino-N-cyclobutyl-2-[4-(hydroxymethyl)cyclohexyl]-N-methylacetamide.

Molecular Properties

Compound Name(2S)-2-amino-N-cyclobutyl-2-[4-(hydroxymethyl)cyclohexyl]-N-methylacetamide
PubChem CID70337489
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name(2S)-2-amino-N-cyclobutyl-2-[4-(hydroxymethyl)cyclohexyl]-N-methylacetamide
SMILESCN(C(=O)[C@@H](N)C1CCC(CO)CC1)C1CCC1
InChIInChI=1S/C14H26N2O2/c1-16(12-3-2-4-12)14(18)13(15)11-7-5-10(9-17)6-8-11/h10-13,17H,2-9,15H2,1H3/t10?,11?,13-/m0/s1
InChIKeyXBOZQYZSLOKFRZ-XIVSLSHWSA-N
XLogP1.12
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[(1S)-1-amino-2-[cyclobutyl(methyl)amino]-2-oxoethyl]cyclohexyl]acetic acid
CID 70337796
(2S)-2-amino-N-cyclobutyl-N-methyl-2-(4-methylcyclohexyl)acetamide
CID 70337039
(2S)-2-amino-2-cyclohexyl-N-cyclopentyl-N-methylacetamide
CID 70337102
2-amino-N-cyclobutyl-N-methyl-2-[4-(phenoxymethyl)cyclohexyl]acetamide
CID 70337987
2-amino-N-cyclobutyl-N-methyl-2-[4-(methylsulfanylamino)cyclohexyl]acetamide
CID 143017092
methyl N-[4-[(1S)-1-amino-2-[cyclobutyl(methyl)amino]-2-oxoethyl]cyclohexyl]carbamate
CID 70338011
(2S)-2-amino-N-cyclobutyl-3-hydroxy-N-methylpropanamide
CID 70338344
4-[[4-[(1S)-1-amino-2-[cyclobutyl(methyl)amino]-2-oxoethyl]cyclohexyl]amino]-4-oxobutanoic acid
CID 70338432
2-amino-N-cyclooctyl-N-methylpropanamide
CID 83630474
2-[4-[[4-[(1S)-1-amino-2-[cyclobutyl(methyl)amino]-2-oxoethyl]cyclohexyl]methoxy]phenyl]acetic acid
CID 70337045
3-[[4-[(1S)-1-amino-2-[cyclobutyl(methyl)amino]-2-oxoethyl]cyclohexyl]methoxy]-5-(hydroxymethyl)benzoic acid
CID 143017125
(2S)-2-amino-N-cyclobutyl-N-methyl-2-[4-[(2-phenylacetyl)amino]cyclohexyl]acetamide
CID 70338370

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-cyclobutyl-2-[4-(hydroxymethyl)cyclohexyl]-N-methylacetamide?
The IUPAC name of (2S)-2-amino-N-cyclobutyl-2-[4-(hydroxymethyl)cyclohexyl]-N-methylacetamide (CID 70337489) is (2S)-2-amino-N-cyclobutyl-2-[4-(hydroxymethyl)cyclohexyl]-N-methylacetamide.
What is the SMILES notation for (2S)-2-amino-N-cyclobutyl-2-[4-(hydroxymethyl)cyclohexyl]-N-methylacetamide?
The canonical SMILES for (2S)-2-amino-N-cyclobutyl-2-[4-(hydroxymethyl)cyclohexyl]-N-methylacetamide is CN(C(=O)[C@@H](N)C1CCC(CO)CC1)C1CCC1.
What is the InChIKey of (2S)-2-amino-N-cyclobutyl-2-[4-(hydroxymethyl)cyclohexyl]-N-methylacetamide?
The InChIKey is XBOZQYZSLOKFRZ-XIVSLSHWSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-16(12-3-2-4-12)14(18)13(15)11-7-5-10(9-17)6-8-11/h10-13,17H,2-9,15H2,1H3/t10?,11?,13-/m0/s1.
What are the key properties of (2S)-2-amino-N-cyclobutyl-2-[4-(hydroxymethyl)cyclohexyl]-N-methylacetamide?
(2S)-2-amino-N-cyclobutyl-2-[4-(hydroxymethyl)cyclohexyl]-N-methylacetamide has a molecular weight of 254.37 g/mol, XLogP of 1.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-cyclobutyl-2-[4-(hydroxymethyl)cyclohexyl]-N-methylacetamide is sourced from PubChem (CID 70337489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).