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

C19H30N2O5 — CID 10133507

IUPAC(3R)-3-amino-4-cyclohexyl-2-hydroxy-N-(2,3,4-trimethoxyphenyl)butanamide
SMILESCOc1ccc(NC(=O)C(O)[C@H](N)CC2CCCCC2)c(OC)c1OC
InChIInChI=1S/C19H30N2O5/c1-24-15-10-9-14(17(25-2)18(15)26-3)21-19(23)16(22)13(20)11-12-7-5-4-6-8-12/h9-10,12-13,16,22H,4-8,11,20H2,1-3H3,(H,21,23)/t13-,16?/m1/s1
InChIKeyHGWVADFFRRDEDE-JBZHPUCOSA-N
MW366.46 g/mol
LogP2.31
Rot. Bonds8

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

(3R)-3-amino-4-cyclohexyl-2-hydroxy-N-(2,3,4-trimethoxyphenyl)butanamide (PubChem CID 10133507) has the molecular formula C19H30N2O5 and a molecular weight of 366.46 g/mol. Its IUPAC name is (3R)-3-amino-4-cyclohexyl-2-hydroxy-N-(2,3,4-trimethoxyphenyl)butanamide.

Molecular Properties

Compound Name(3R)-3-amino-4-cyclohexyl-2-hydroxy-N-(2,3,4-trimethoxyphenyl)butanamide
PubChem CID10133507
Molecular FormulaC19H30N2O5
Molecular Weight366.46 g/mol
Exact Mass366.22
IUPAC Name(3R)-3-amino-4-cyclohexyl-2-hydroxy-N-(2,3,4-trimethoxyphenyl)butanamide
SMILESCOc1ccc(NC(=O)C(O)[C@H](N)CC2CCCCC2)c(OC)c1OC
InChIInChI=1S/C19H30N2O5/c1-24-15-10-9-14(17(25-2)18(15)26-3)21-19(23)16(22)13(20)11-12-7-5-4-6-8-12/h9-10,12-13,16,22H,4-8,11,20H2,1-3H3,(H,21,23)/t13-,16?/m1/s1
InChIKeyHGWVADFFRRDEDE-JBZHPUCOSA-N
XLogP2.31
TPSA103.04 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

(3R)-3-amino-4-cyclohexyl-2-hydroxy-N-[2-methoxy-5-(trifluoromethyl)phenyl]butanamide
CID 54429996
(3R)-3-amino-4-cyclohexyl-2-hydroxy-N-[2-methoxy-5-(trifluoromethyl)phenyl]butanamide;hydrochloride
CID 70064539
3-amino-4-cyclohexyl-2-hydroxy-N-(4-methoxynaphthalen-2-yl)butanamide
CID 21198770
(3R)-3-amino-4-cyclohexyl-2-hydroxy-N-(2-methylphenyl)butanamide
CID 70065939
3-amino-4-cyclohexyl-N-(2,5-diethoxyphenyl)-2-hydroxybutanamide;hydrochloride
CID 21198823
(3R)-3-amino-4-cyclohexyl-2-hydroxy-N-[(4-methoxyphenyl)methyl]butanamide
CID 15516889
methyl 4-[[(3R)-3-amino-4-cyclohexyl-2-hydroxybutanoyl]amino]thiophene-3-carboxylate;hydrochloride
CID 70062887
(3R)-3-amino-4-cyclohexyl-N-(2,5-dimethoxyphenyl)-2-propan-2-yloxybutanamide
CID 130388233
(3R)-3-amino-4-cyclohexyl-N-(4-fluorophenyl)-2-hydroxybutanamide
CID 54413400
3-amino-4-cyclohexyl-2-hydroxy-N-methylbutanamide
CID 14478229
(3R)-3-amino-4-cyclohexyl-2-ethoxy-N-(3,4,5-trimethoxyphenyl)butanamide
CID 130340204
ethyl 3-[[(3R)-3-amino-4-cyclohexyl-2-hydroxybutanoyl]amino]propanoate;hydrochloride
CID 70063212

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-4-cyclohexyl-2-hydroxy-N-(2,3,4-trimethoxyphenyl)butanamide?
The IUPAC name of (3R)-3-amino-4-cyclohexyl-2-hydroxy-N-(2,3,4-trimethoxyphenyl)butanamide (CID 10133507) is (3R)-3-amino-4-cyclohexyl-2-hydroxy-N-(2,3,4-trimethoxyphenyl)butanamide.
What is the SMILES notation for (3R)-3-amino-4-cyclohexyl-2-hydroxy-N-(2,3,4-trimethoxyphenyl)butanamide?
The canonical SMILES for (3R)-3-amino-4-cyclohexyl-2-hydroxy-N-(2,3,4-trimethoxyphenyl)butanamide is COc1ccc(NC(=O)C(O)[C@H](N)CC2CCCCC2)c(OC)c1OC.
What is the InChIKey of (3R)-3-amino-4-cyclohexyl-2-hydroxy-N-(2,3,4-trimethoxyphenyl)butanamide?
The InChIKey is HGWVADFFRRDEDE-JBZHPUCOSA-N. The full InChI is InChI=1S/C19H30N2O5/c1-24-15-10-9-14(17(25-2)18(15)26-3)21-19(23)16(22)13(20)11-12-7-5-4-6-8-12/h9-10,12-13,16,22H,4-8,11,20H2,1-3H3,(H,21,23)/t13-,16?/m1/s1.
What are the key properties of (3R)-3-amino-4-cyclohexyl-2-hydroxy-N-(2,3,4-trimethoxyphenyl)butanamide?
(3R)-3-amino-4-cyclohexyl-2-hydroxy-N-(2,3,4-trimethoxyphenyl)butanamide has a molecular weight of 366.46 g/mol, XLogP of 2.31, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-4-cyclohexyl-2-hydroxy-N-(2,3,4-trimethoxyphenyl)butanamide is sourced from PubChem (CID 10133507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).