3-amino-4-cyclohexyl-N-(2,5-diethoxyphenyl)-2-hydroxybutanamide;hydrochloride

C20H33ClN2O4 — CID 21198823

IUPAC3-amino-4-cyclohexyl-N-(2,5-diethoxyphenyl)-2-hydroxybutanamide;hydrochloride
SMILESCCOc1ccc(OCC)c(NC(=O)C(O)C(N)CC2CCCCC2)c1.Cl
InChIInChI=1S/C20H32N2O4.ClH/c1-3-25-15-10-11-18(26-4-2)17(13-15)22-20(24)19(23)16(21)12-14-8-6-5-7-9-14;/h10-11,13-14,16,19,23H,3-9,12,21H2,1-2H3,(H,22,24);1H
InChIKeyCDNMHFOFLPLIPB-UHFFFAOYSA-N
MW400.95 g/mol
LogP3.50
Rot. Bonds9

About 3-amino-4-cyclohexyl-N-(2,5-diethoxyphenyl)-2-hydroxybutanamide;hydrochloride

3-amino-4-cyclohexyl-N-(2,5-diethoxyphenyl)-2-hydroxybutanamide;hydrochloride (PubChem CID 21198823) has the molecular formula C20H33ClN2O4 and a molecular weight of 400.95 g/mol. Its IUPAC name is 3-amino-4-cyclohexyl-N-(2,5-diethoxyphenyl)-2-hydroxybutanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-4-cyclohexyl-N-(2,5-diethoxyphenyl)-2-hydroxybutanamide;hydrochloride
PubChem CID21198823
Molecular FormulaC20H33ClN2O4
Molecular Weight400.95 g/mol
Exact Mass400.21
IUPAC Name3-amino-4-cyclohexyl-N-(2,5-diethoxyphenyl)-2-hydroxybutanamide;hydrochloride
SMILESCCOc1ccc(OCC)c(NC(=O)C(O)C(N)CC2CCCCC2)c1.Cl
InChIInChI=1S/C20H32N2O4.ClH/c1-3-25-15-10-11-18(26-4-2)17(13-15)22-20(24)19(23)16(21)12-14-8-6-5-7-9-14;/h10-11,13-14,16,19,23H,3-9,12,21H2,1-2H3,(H,22,24);1H
InChIKeyCDNMHFOFLPLIPB-UHFFFAOYSA-N
XLogP3.50
TPSA93.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.95
LogP ≤ 53.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-3-amino-4-cyclohexyl-2-hydroxy-N-[2-methoxy-5-(trifluoromethyl)phenyl]butanamide;hydrochloride
CID 70064539
3-cyclohexyl-N-(2,5-diethoxyphenyl)propanamide
CID 43835604
(3R)-3-amino-4-cyclohexyl-2-hydroxy-N-[2-methoxy-5-(trifluoromethyl)phenyl]butanamide
CID 54429996
(2R)-2-amino-N-(2,5-diethoxyphenyl)pentanamide
CID 103794070
(3R)-3-amino-4-cyclohexyl-N-(2,5-dimethoxyphenyl)-2-propan-2-yloxybutanamide
CID 130388233
N-(2,5-diethoxyphenyl)-2-methoxypropanamide
CID 47301395
(3R)-3-amino-4-cyclohexyl-2-hydroxy-N-[(4-methoxyphenyl)methyl]butanamide
CID 15516889
3-amino-N-(2,5-diethoxyphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119686949
methyl 4-[[(3R)-3-amino-4-cyclohexyl-2-hydroxybutanoyl]amino]thiophene-3-carboxylate;hydrochloride
CID 70062887
ethyl 3-[[(3R)-3-amino-4-cyclohexyl-2-hydroxybutanoyl]amino]propanoate;hydrochloride
CID 70063212
2-acetamido-N-(2,5-diethoxyphenyl)propanamide
CID 78778179
(3R)-3-amino-4-cyclohexyl-N-(4-fluorophenyl)-2-hydroxybutanamide
CID 54413400

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-cyclohexyl-N-(2,5-diethoxyphenyl)-2-hydroxybutanamide;hydrochloride?
The IUPAC name of 3-amino-4-cyclohexyl-N-(2,5-diethoxyphenyl)-2-hydroxybutanamide;hydrochloride (CID 21198823) is 3-amino-4-cyclohexyl-N-(2,5-diethoxyphenyl)-2-hydroxybutanamide;hydrochloride.
What is the SMILES notation for 3-amino-4-cyclohexyl-N-(2,5-diethoxyphenyl)-2-hydroxybutanamide;hydrochloride?
The canonical SMILES for 3-amino-4-cyclohexyl-N-(2,5-diethoxyphenyl)-2-hydroxybutanamide;hydrochloride is CCOc1ccc(OCC)c(NC(=O)C(O)C(N)CC2CCCCC2)c1.Cl.
What is the InChIKey of 3-amino-4-cyclohexyl-N-(2,5-diethoxyphenyl)-2-hydroxybutanamide;hydrochloride?
The InChIKey is CDNMHFOFLPLIPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O4.ClH/c1-3-25-15-10-11-18(26-4-2)17(13-15)22-20(24)19(23)16(21)12-14-8-6-5-7-9-14;/h10-11,13-14,16,19,23H,3-9,12,21H2,1-2H3,(H,22,24);1H.
What are the key properties of 3-amino-4-cyclohexyl-N-(2,5-diethoxyphenyl)-2-hydroxybutanamide;hydrochloride?
3-amino-4-cyclohexyl-N-(2,5-diethoxyphenyl)-2-hydroxybutanamide;hydrochloride has a molecular weight of 400.95 g/mol, XLogP of 3.50, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-cyclohexyl-N-(2,5-diethoxyphenyl)-2-hydroxybutanamide;hydrochloride is sourced from PubChem (CID 21198823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).