(3R)-3-amino-4-cyclohexyl-N-(2,5-dimethoxyphenyl)-2-propan-2-yloxybutanamide

C21H34N2O4 — CID 130388233

IUPAC(3R)-3-amino-4-cyclohexyl-N-(2,5-dimethoxyphenyl)-2-propan-2-yloxybutanamide
SMILESCOc1ccc(OC)c(NC(=O)C(OC(C)C)[C@H](N)CC2CCCCC2)c1
InChIInChI=1S/C21H34N2O4/c1-14(2)27-20(17(22)12-15-8-6-5-7-9-15)21(24)23-18-13-16(25-3)10-11-19(18)26-4/h10-11,13-15,17,20H,5-9,12,22H2,1-4H3,(H,23,24)/t17-,20?/m1/s1
InChIKeyOLVXYIQLDNWFRM-DIAVIDTQSA-N
MW378.51 g/mol
LogP3.73
Rot. Bonds9

About (3R)-3-amino-4-cyclohexyl-N-(2,5-dimethoxyphenyl)-2-propan-2-yloxybutanamide

(3R)-3-amino-4-cyclohexyl-N-(2,5-dimethoxyphenyl)-2-propan-2-yloxybutanamide (PubChem CID 130388233) has the molecular formula C21H34N2O4 and a molecular weight of 378.51 g/mol. Its IUPAC name is (3R)-3-amino-4-cyclohexyl-N-(2,5-dimethoxyphenyl)-2-propan-2-yloxybutanamide.

Molecular Properties

Compound Name(3R)-3-amino-4-cyclohexyl-N-(2,5-dimethoxyphenyl)-2-propan-2-yloxybutanamide
PubChem CID130388233
Molecular FormulaC21H34N2O4
Molecular Weight378.51 g/mol
Exact Mass378.25
IUPAC Name(3R)-3-amino-4-cyclohexyl-N-(2,5-dimethoxyphenyl)-2-propan-2-yloxybutanamide
SMILESCOc1ccc(OC)c(NC(=O)C(OC(C)C)[C@H](N)CC2CCCCC2)c1
InChIInChI=1S/C21H34N2O4/c1-14(2)27-20(17(22)12-15-8-6-5-7-9-15)21(24)23-18-13-16(25-3)10-11-19(18)26-4/h10-11,13-15,17,20H,5-9,12,22H2,1-4H3,(H,23,24)/t17-,20?/m1/s1
InChIKeyOLVXYIQLDNWFRM-DIAVIDTQSA-N
XLogP3.73
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.51
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (3R)-3-amino-4-cyclohexyl-N-(2,5-dimethoxyphenyl)-2-propan-2-yloxybutanamide with MolForge

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Related Compounds

(3R)-3-amino-4-cyclohexyl-N-(4-iodo-2-methylphenyl)-2-propan-2-yloxybutanamide
CID 58534764
(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-N-(2,5-diethoxyphenyl)-2-hydroxybutanamide;hydrochloride
CID 21198823
[2-(2,5-dimethoxyanilino)-2-oxoethyl] cyclohexanecarboxylate
CID 2391445
1-cycloheptyl-3-(2,5-dimethoxyphenyl)urea
CID 6470715
(3R)-3-amino-4-cyclohexyl-2-hydroxy-N-(2,3,4-trimethoxyphenyl)butanamide
CID 10133507
(3R)-3-amino-4-cyclohexyl-2-ethoxy-N-(3,4,5-trimethoxyphenyl)butanamide
CID 130340204
(3R)-3-amino-4-cyclohexyl-N-(4-iodo-2-methylphenyl)-2-methoxybutanamide
CID 70641053
2-amino-N-(2,5-dimethoxyphenyl)-3,3-dimethylbutanamide
CID 76892238
1-[(E)-2-cyclohexylethenyl]-3-(2,5-dimethoxyphenyl)urea
CID 108912082
1-[(1R)-1-cyclohexyl-2,2,2-trifluoroethyl]-3-(2,5-dimethoxyphenyl)urea
CID 95975281

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-4-cyclohexyl-N-(2,5-dimethoxyphenyl)-2-propan-2-yloxybutanamide?
The IUPAC name of (3R)-3-amino-4-cyclohexyl-N-(2,5-dimethoxyphenyl)-2-propan-2-yloxybutanamide (CID 130388233) is (3R)-3-amino-4-cyclohexyl-N-(2,5-dimethoxyphenyl)-2-propan-2-yloxybutanamide.
What is the SMILES notation for (3R)-3-amino-4-cyclohexyl-N-(2,5-dimethoxyphenyl)-2-propan-2-yloxybutanamide?
The canonical SMILES for (3R)-3-amino-4-cyclohexyl-N-(2,5-dimethoxyphenyl)-2-propan-2-yloxybutanamide is COc1ccc(OC)c(NC(=O)C(OC(C)C)[C@H](N)CC2CCCCC2)c1.
What is the InChIKey of (3R)-3-amino-4-cyclohexyl-N-(2,5-dimethoxyphenyl)-2-propan-2-yloxybutanamide?
The InChIKey is OLVXYIQLDNWFRM-DIAVIDTQSA-N. The full InChI is InChI=1S/C21H34N2O4/c1-14(2)27-20(17(22)12-15-8-6-5-7-9-15)21(24)23-18-13-16(25-3)10-11-19(18)26-4/h10-11,13-15,17,20H,5-9,12,22H2,1-4H3,(H,23,24)/t17-,20?/m1/s1.
What are the key properties of (3R)-3-amino-4-cyclohexyl-N-(2,5-dimethoxyphenyl)-2-propan-2-yloxybutanamide?
(3R)-3-amino-4-cyclohexyl-N-(2,5-dimethoxyphenyl)-2-propan-2-yloxybutanamide has a molecular weight of 378.51 g/mol, XLogP of 3.73, 9 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-N-(2,5-dimethoxyphenyl)-2-propan-2-yloxybutanamide is sourced from PubChem (CID 130388233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).