(2R)-2-amino-N-(2-ethylcyclohexyl)-3-methylbutanamide

C13H26N2O — CID 79011794

IUPAC(2R)-2-amino-N-(2-ethylcyclohexyl)-3-methylbutanamide
SMILESCCC1CCCCC1NC(=O)[C@H](N)C(C)C
InChIInChI=1S/C13H26N2O/c1-4-10-7-5-6-8-11(10)15-13(16)12(14)9(2)3/h9-12H,4-8,14H2,1-3H3,(H,15,16)/t10?,11?,12-/m1/s1
InChIKeyOFVNAMRBTSDPNA-HTAVTVPLSA-N
MW226.36 g/mol
LogP2.05
Rot. Bonds4

About (2R)-2-amino-N-(2-ethylcyclohexyl)-3-methylbutanamide

(2R)-2-amino-N-(2-ethylcyclohexyl)-3-methylbutanamide (PubChem CID 79011794) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is (2R)-2-amino-N-(2-ethylcyclohexyl)-3-methylbutanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-(2-ethylcyclohexyl)-3-methylbutanamide
PubChem CID79011794
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name(2R)-2-amino-N-(2-ethylcyclohexyl)-3-methylbutanamide
SMILESCCC1CCCCC1NC(=O)[C@H](N)C(C)C
InChIInChI=1S/C13H26N2O/c1-4-10-7-5-6-8-11(10)15-13(16)12(14)9(2)3/h9-12H,4-8,14H2,1-3H3,(H,15,16)/t10?,11?,12-/m1/s1
InChIKeyOFVNAMRBTSDPNA-HTAVTVPLSA-N
XLogP2.05
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-N-[2-(hydroxymethyl)cyclohexyl]-3-methylbutanamide
CID 106361381
2-amino-N-[2-(hydroxymethyl)cyclohexyl]-3-methylbutanamide
CID 106361456
(2S)-2-amino-N-(2-ethylcyclopropyl)-3-methylbutanamide
CID 103796865
3-amino-N-(2-ethylcyclopentyl)-2-methylbutanamide;hydrochloride
CID 120502063
2-amino-N-(2-ethylcyclohexyl)butanediamide
CID 60847116
2-amino-N-[2-(hydroxymethyl)cyclohexyl]-3-methylpentanamide
CID 106361554
2-amino-N-(2-tert-butylcyclohexyl)-3-methylbutanamide
CID 43699363
2-amino-N-(2-ethylsulfanylcyclopentyl)-3-methylbutanamide;hydrochloride
CID 119343710
(2S)-N-[(1S,2S)-2-[acetyl(methyl)amino]cyclohexyl]-2-amino-3-methylbutanamide
CID 96554628
(2S)-2-amino-N-(2-ethylcyclohexyl)-4-phenylbutanamide
CID 104983988
N-[(1S,2R)-2-ethylcyclohexyl]acetamide
CID 162400753
(2S)-2-amino-N-(2,3-dimethylcyclohexyl)-3-methylbutanamide
CID 61148874

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(2-ethylcyclohexyl)-3-methylbutanamide?
The IUPAC name of (2R)-2-amino-N-(2-ethylcyclohexyl)-3-methylbutanamide (CID 79011794) is (2R)-2-amino-N-(2-ethylcyclohexyl)-3-methylbutanamide.
What is the SMILES notation for (2R)-2-amino-N-(2-ethylcyclohexyl)-3-methylbutanamide?
The canonical SMILES for (2R)-2-amino-N-(2-ethylcyclohexyl)-3-methylbutanamide is CCC1CCCCC1NC(=O)[C@H](N)C(C)C.
What is the InChIKey of (2R)-2-amino-N-(2-ethylcyclohexyl)-3-methylbutanamide?
The InChIKey is OFVNAMRBTSDPNA-HTAVTVPLSA-N. The full InChI is InChI=1S/C13H26N2O/c1-4-10-7-5-6-8-11(10)15-13(16)12(14)9(2)3/h9-12H,4-8,14H2,1-3H3,(H,15,16)/t10?,11?,12-/m1/s1.
What are the key properties of (2R)-2-amino-N-(2-ethylcyclohexyl)-3-methylbutanamide?
(2R)-2-amino-N-(2-ethylcyclohexyl)-3-methylbutanamide has a molecular weight of 226.36 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-(2-ethylcyclohexyl)-3-methylbutanamide is sourced from PubChem (CID 79011794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).