(2S,3R)-2-amino-N-methyl-3-[(4-methylcyclohexyl)methoxy]butanamide

C13H26N2O2 — CID 164604903

IUPAC(2S,3R)-2-amino-N-methyl-3-[(4-methylcyclohexyl)methoxy]butanamide
SMILESCNC(=O)[C@@H](N)[C@@H](C)OCC1CCC(C)CC1
InChIInChI=1S/C13H26N2O2/c1-9-4-6-11(7-5-9)8-17-10(2)12(14)13(16)15-3/h9-12H,4-8,14H2,1-3H3,(H,15,16)/t9?,10-,11?,12+/m1/s1
InChIKeySDKMADUOCJUPIJ-RSJDFQLWSA-N
MW242.36 g/mol
LogP1.29
Rot. Bonds5

About (2S,3R)-2-amino-N-methyl-3-[(4-methylcyclohexyl)methoxy]butanamide

(2S,3R)-2-amino-N-methyl-3-[(4-methylcyclohexyl)methoxy]butanamide (PubChem CID 164604903) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is (2S,3R)-2-amino-N-methyl-3-[(4-methylcyclohexyl)methoxy]butanamide.

Molecular Properties

Compound Name(2S,3R)-2-amino-N-methyl-3-[(4-methylcyclohexyl)methoxy]butanamide
PubChem CID164604903
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name(2S,3R)-2-amino-N-methyl-3-[(4-methylcyclohexyl)methoxy]butanamide
SMILESCNC(=O)[C@@H](N)[C@@H](C)OCC1CCC(C)CC1
InChIInChI=1S/C13H26N2O2/c1-9-4-6-11(7-5-9)8-17-10(2)12(14)13(16)15-3/h9-12H,4-8,14H2,1-3H3,(H,15,16)/t9?,10-,11?,12+/m1/s1
InChIKeySDKMADUOCJUPIJ-RSJDFQLWSA-N
XLogP1.29
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-[(4,4-difluorocyclohexyl)methoxy]-N-methylpropanamide;ethane
CID 164604020
(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
2-amino-3-[(4,4-difluorocyclohexyl)methoxy]-N-methylpropanamide
CID 164604021
N-methyl-2-(2-methylpropanoylamino)-3-(spiro[2.5]octan-6-ylmethoxy)butanamide
CID 164603950
(2S,3R)-2-amino-3-[(4-methoxycyclohexyl)methoxy]-N-methylbutanamide
CID 164604083
(2S,3R)-2-amino-3-[(4,4-dimethylcyclohexyl)methoxy]-N-methylbutanamide
CID 164604208
(2S,3R)-2-amino-N-methyl-3-(oxan-4-ylmethoxy)butanamide
CID 164604387
(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

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-amino-N-methyl-3-[(4-methylcyclohexyl)methoxy]butanamide?
The IUPAC name of (2S,3R)-2-amino-N-methyl-3-[(4-methylcyclohexyl)methoxy]butanamide (CID 164604903) is (2S,3R)-2-amino-N-methyl-3-[(4-methylcyclohexyl)methoxy]butanamide.
What is the SMILES notation for (2S,3R)-2-amino-N-methyl-3-[(4-methylcyclohexyl)methoxy]butanamide?
The canonical SMILES for (2S,3R)-2-amino-N-methyl-3-[(4-methylcyclohexyl)methoxy]butanamide is CNC(=O)[C@@H](N)[C@@H](C)OCC1CCC(C)CC1.
What is the InChIKey of (2S,3R)-2-amino-N-methyl-3-[(4-methylcyclohexyl)methoxy]butanamide?
The InChIKey is SDKMADUOCJUPIJ-RSJDFQLWSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-9-4-6-11(7-5-9)8-17-10(2)12(14)13(16)15-3/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-N-methyl-3-[(4-methylcyclohexyl)methoxy]butanamide?
(2S,3R)-2-amino-N-methyl-3-[(4-methylcyclohexyl)methoxy]butanamide has a molecular weight of 242.36 g/mol, XLogP of 1.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-amino-N-methyl-3-[(4-methylcyclohexyl)methoxy]butanamide is sourced from PubChem (CID 164604903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).