(2S,3S)-2-amino-3-(cyclohexylmethoxy)-N-methylbutanamide

C12H24N2O2 — CID 164604443

IUPAC(2S,3S)-2-amino-3-(cyclohexylmethoxy)-N-methylbutanamide
SMILESCNC(=O)[C@@H](N)[C@H](C)OCC1CCCCC1
InChIInChI=1S/C12H24N2O2/c1-9(11(13)12(15)14-2)16-8-10-6-4-3-5-7-10/h9-11H,3-8,13H2,1-2H3,(H,14,15)/t9-,11-/m0/s1
InChIKeyQVHDGFGOEPFXOC-ONGXEEELSA-N
MW228.34 g/mol
LogP1.05
Rot. Bonds5

About (2S,3S)-2-amino-3-(cyclohexylmethoxy)-N-methylbutanamide

(2S,3S)-2-amino-3-(cyclohexylmethoxy)-N-methylbutanamide (PubChem CID 164604443) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is (2S,3S)-2-amino-3-(cyclohexylmethoxy)-N-methylbutanamide.

Molecular Properties

Compound Name(2S,3S)-2-amino-3-(cyclohexylmethoxy)-N-methylbutanamide
PubChem CID164604443
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name(2S,3S)-2-amino-3-(cyclohexylmethoxy)-N-methylbutanamide
SMILESCNC(=O)[C@@H](N)[C@H](C)OCC1CCCCC1
InChIInChI=1S/C12H24N2O2/c1-9(11(13)12(15)14-2)16-8-10-6-4-3-5-7-10/h9-11H,3-8,13H2,1-2H3,(H,14,15)/t9-,11-/m0/s1
InChIKeyQVHDGFGOEPFXOC-ONGXEEELSA-N
XLogP1.05
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.05
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
(2S,3R)-2-amino-3-[(4,4-difluorocyclohexyl)methoxy]butanamide
CID 171594257
2-amino-3-[(4,4-difluorocyclohexyl)methoxy]-N-methylpropanamide
CID 164604021
(2R)-2-amino-N-[1-(2,6-dimethylcyclohexyl)oxypropan-2-yl]-3-methylbutanamide
CID 90383820
N-[1-[3-(aminomethyl)azetidin-1-yl]-3-(cyclohexylmethoxy)-1-oxobutan-2-yl]-2-methylpropanamide
CID 164604051
(2S,3R)-2-amino-3-[(4-methoxycyclohexyl)methoxy]-N-methylbutanamide
CID 164604083
(2S,3R)-2-amino-3-(1-cyclohexylethoxy)-1-piperidin-1-ylbutan-1-one
CID 164604199
(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

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-amino-3-(cyclohexylmethoxy)-N-methylbutanamide?
The IUPAC name of (2S,3S)-2-amino-3-(cyclohexylmethoxy)-N-methylbutanamide (CID 164604443) is (2S,3S)-2-amino-3-(cyclohexylmethoxy)-N-methylbutanamide.
What is the SMILES notation for (2S,3S)-2-amino-3-(cyclohexylmethoxy)-N-methylbutanamide?
The canonical SMILES for (2S,3S)-2-amino-3-(cyclohexylmethoxy)-N-methylbutanamide is CNC(=O)[C@@H](N)[C@H](C)OCC1CCCCC1.
What is the InChIKey of (2S,3S)-2-amino-3-(cyclohexylmethoxy)-N-methylbutanamide?
The InChIKey is QVHDGFGOEPFXOC-ONGXEEELSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-9(11(13)12(15)14-2)16-8-10-6-4-3-5-7-10/h9-11H,3-8,13H2,1-2H3,(H,14,15)/t9-,11-/m0/s1.
What are the key properties of (2S,3S)-2-amino-3-(cyclohexylmethoxy)-N-methylbutanamide?
(2S,3S)-2-amino-3-(cyclohexylmethoxy)-N-methylbutanamide has a molecular weight of 228.34 g/mol, XLogP of 1.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-amino-3-(cyclohexylmethoxy)-N-methylbutanamide is sourced from PubChem (CID 164604443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).