(2S,3R)-2-amino-3-[(4-methoxycyclohexyl)methoxy]-N-methylbutanamide

C13H26N2O3 — CID 164604083

IUPAC(2S,3R)-2-amino-3-[(4-methoxycyclohexyl)methoxy]-N-methylbutanamide
SMILESCNC(=O)[C@@H](N)[C@@H](C)OCC1CCC(OC)CC1
InChIInChI=1S/C13H26N2O3/c1-9(12(14)13(16)15-2)18-8-10-4-6-11(17-3)7-5-10/h9-12H,4-8,14H2,1-3H3,(H,15,16)/t9-,10?,11?,12+/m1/s1
InChIKeyGOSXEOYMRGRQTE-YYJSSNLHSA-N
MW258.36 g/mol
LogP0.67
Rot. Bonds6

About (2S,3R)-2-amino-3-[(4-methoxycyclohexyl)methoxy]-N-methylbutanamide

(2S,3R)-2-amino-3-[(4-methoxycyclohexyl)methoxy]-N-methylbutanamide (PubChem CID 164604083) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is (2S,3R)-2-amino-3-[(4-methoxycyclohexyl)methoxy]-N-methylbutanamide.

Molecular Properties

Compound Name(2S,3R)-2-amino-3-[(4-methoxycyclohexyl)methoxy]-N-methylbutanamide
PubChem CID164604083
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Name(2S,3R)-2-amino-3-[(4-methoxycyclohexyl)methoxy]-N-methylbutanamide
SMILESCNC(=O)[C@@H](N)[C@@H](C)OCC1CCC(OC)CC1
InChIInChI=1S/C13H26N2O3/c1-9(12(14)13(16)15-2)18-8-10-4-6-11(17-3)7-5-10/h9-12H,4-8,14H2,1-3H3,(H,15,16)/t9-,10?,11?,12+/m1/s1
InChIKeyGOSXEOYMRGRQTE-YYJSSNLHSA-N
XLogP0.67
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,3R)-2-amino-N-methyl-3-[[4-(trifluoromethyl)cyclohexyl]methoxy]butanamide
CID 164604591
(2S,3R)-2-amino-3-[(4,4-difluorocyclohexyl)methoxy]-N-methylbutanamide
CID 171593892
(2S,3R)-2-amino-3-[(4,4-dimethylcyclohexyl)methoxy]-N-methylbutanamide
CID 164604208
(2S,3R)-2-amino-N-methyl-3-(2-oxabicyclo[2.2.2]octan-4-ylmethoxy)butanamide
CID 164604348
(2S,3R)-2-amino-3-[(4-hydroxycyclohexyl)methoxy]-N-methylbutanamide
CID 164604432
(2S,3S)-2-amino-3-(cyclohexylmethoxy)-N-methylbutanamide
CID 164604443
(2S,3R)-2-amino-3-(cyclopentylmethoxy)-N-methylbutanamide
CID 164604595
(2S,3R)-2-amino-3-(cyclohexylmethoxy)-N-methylbutanamide
CID 164604619
(2S,3R)-2-amino-3-(cyclohexylmethoxy)-N-methylbutanamide;hydrochloride
CID 164604624
2-acetamido-N-methyl-3-[(4-methylcyclohexyl)methoxy]butanamide
CID 164604691
2-acetamido-3-(2-cyclohexylethoxy)-N-methylbutanamide
CID 164604698
2-acetamido-3-(cyclohexylmethoxy)-N-methylbutanamide
CID 164604801

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-amino-3-[(4-methoxycyclohexyl)methoxy]-N-methylbutanamide?
The IUPAC name of (2S,3R)-2-amino-3-[(4-methoxycyclohexyl)methoxy]-N-methylbutanamide (CID 164604083) is (2S,3R)-2-amino-3-[(4-methoxycyclohexyl)methoxy]-N-methylbutanamide.
What is the SMILES notation for (2S,3R)-2-amino-3-[(4-methoxycyclohexyl)methoxy]-N-methylbutanamide?
The canonical SMILES for (2S,3R)-2-amino-3-[(4-methoxycyclohexyl)methoxy]-N-methylbutanamide is CNC(=O)[C@@H](N)[C@@H](C)OCC1CCC(OC)CC1.
What is the InChIKey of (2S,3R)-2-amino-3-[(4-methoxycyclohexyl)methoxy]-N-methylbutanamide?
The InChIKey is GOSXEOYMRGRQTE-YYJSSNLHSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-9(12(14)13(16)15-2)18-8-10-4-6-11(17-3)7-5-10/h9-12H,4-8,14H2,1-3H3,(H,15,16)/t9-,10?,11?,12+/m1/s1.
What are the key properties of (2S,3R)-2-amino-3-[(4-methoxycyclohexyl)methoxy]-N-methylbutanamide?
(2S,3R)-2-amino-3-[(4-methoxycyclohexyl)methoxy]-N-methylbutanamide has a molecular weight of 258.36 g/mol, XLogP of 0.67, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-amino-3-[(4-methoxycyclohexyl)methoxy]-N-methylbutanamide is sourced from PubChem (CID 164604083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).