(3R)-3-amino-4-cyclohexyl-2-hydroxy-N,N-bis(methoxymethyl)butanamide

C14H28N2O4 — CID 70065085

IUPAC(3R)-3-amino-4-cyclohexyl-2-hydroxy-N,N-bis(methoxymethyl)butanamide
SMILESCOCN(COC)C(=O)C(O)[C@H](N)CC1CCCCC1
InChIInChI=1S/C14H28N2O4/c1-19-9-16(10-20-2)14(18)13(17)12(15)8-11-6-4-3-5-7-11/h11-13,17H,3-10,15H2,1-2H3/t12-,13?/m1/s1
InChIKeyRQRBXAIYNBBAMS-PZORYLMUSA-N
MW288.39 g/mol
LogP0.68
Rot. Bonds8

About (3R)-3-amino-4-cyclohexyl-2-hydroxy-N,N-bis(methoxymethyl)butanamide

(3R)-3-amino-4-cyclohexyl-2-hydroxy-N,N-bis(methoxymethyl)butanamide (PubChem CID 70065085) has the molecular formula C14H28N2O4 and a molecular weight of 288.39 g/mol. Its IUPAC name is (3R)-3-amino-4-cyclohexyl-2-hydroxy-N,N-bis(methoxymethyl)butanamide.

Molecular Properties

Compound Name(3R)-3-amino-4-cyclohexyl-2-hydroxy-N,N-bis(methoxymethyl)butanamide
PubChem CID70065085
Molecular FormulaC14H28N2O4
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name(3R)-3-amino-4-cyclohexyl-2-hydroxy-N,N-bis(methoxymethyl)butanamide
SMILESCOCN(COC)C(=O)C(O)[C@H](N)CC1CCCCC1
InChIInChI=1S/C14H28N2O4/c1-19-9-16(10-20-2)14(18)13(17)12(15)8-11-6-4-3-5-7-11/h11-13,17H,3-10,15H2,1-2H3/t12-,13?/m1/s1
InChIKeyRQRBXAIYNBBAMS-PZORYLMUSA-N
XLogP0.68
TPSA85.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze (3R)-3-amino-4-cyclohexyl-2-hydroxy-N,N-bis(methoxymethyl)butanamide with MolForge

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Related Compounds

(2R,3S)-3-amino-4-cyclohexyl-2-hydroxybutanoic acid
CID 10987299
dimethyl 2-(cyclohexylmethyl)propanedioate
CID 22460415
3-amino-4-cyclohexyl-2-hydroxy-N-methylbutanamide
CID 14478229
(3R)-3-amino-4-cyclohexyl-2-hydroxy-N-(4-methylphenyl)butanehydrazide
CID 11779868
(2S,4R)-2,4-diamino-1,5-dicyclohexylpentan-3-ol
CID 10636664
(2R)-1-cyclohexyl-3-methylbutan-2-amine
CID 118964474
2-(cyclopentylmethyl)-3-methoxy-3-oxopropanoic acid
CID 11672870
(3R)-3-amino-4-cyclohexyl-2-hydroxy-N-[(4-methoxyphenyl)methyl]butanamide
CID 15516889
N-[(3R)-3-amino-4-cyclohexyl-2-hydroxybutanoyl]-4-hydroxybenzohydrazide
CID 10449616
4-amino-5-cyclobutyl-3-hydroxypentan-2-one;methane;methyl 3-amino-4-cyclobutyl-2-hydroxybutanoate;molecular fluorine
CID 158068360
2-amino-3-cyclohexyl-N,N-dimethylpropanamide
CID 83618462
ethyl 3-[[(3R)-3-amino-4-cyclohexyl-2-hydroxybutanoyl]amino]butanoate
CID 70097268

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-4-cyclohexyl-2-hydroxy-N,N-bis(methoxymethyl)butanamide?
The IUPAC name of (3R)-3-amino-4-cyclohexyl-2-hydroxy-N,N-bis(methoxymethyl)butanamide (CID 70065085) is (3R)-3-amino-4-cyclohexyl-2-hydroxy-N,N-bis(methoxymethyl)butanamide.
What is the SMILES notation for (3R)-3-amino-4-cyclohexyl-2-hydroxy-N,N-bis(methoxymethyl)butanamide?
The canonical SMILES for (3R)-3-amino-4-cyclohexyl-2-hydroxy-N,N-bis(methoxymethyl)butanamide is COCN(COC)C(=O)C(O)[C@H](N)CC1CCCCC1.
What is the InChIKey of (3R)-3-amino-4-cyclohexyl-2-hydroxy-N,N-bis(methoxymethyl)butanamide?
The InChIKey is RQRBXAIYNBBAMS-PZORYLMUSA-N. The full InChI is InChI=1S/C14H28N2O4/c1-19-9-16(10-20-2)14(18)13(17)12(15)8-11-6-4-3-5-7-11/h11-13,17H,3-10,15H2,1-2H3/t12-,13?/m1/s1.
What are the key properties of (3R)-3-amino-4-cyclohexyl-2-hydroxy-N,N-bis(methoxymethyl)butanamide?
(3R)-3-amino-4-cyclohexyl-2-hydroxy-N,N-bis(methoxymethyl)butanamide has a molecular weight of 288.39 g/mol, XLogP of 0.68, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-4-cyclohexyl-2-hydroxy-N,N-bis(methoxymethyl)butanamide is sourced from PubChem (CID 70065085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).