3-amino-N-[(3-chlorophenyl)methyl]-4-cyclohexyl-2-hydroxybutanamide;hydrochloride

C17H26Cl2N2O2 — CID 21199079

IUPAC3-amino-N-[(3-chlorophenyl)methyl]-4-cyclohexyl-2-hydroxybutanamide;hydrochloride
SMILESCl.NC(CC1CCCCC1)C(O)C(=O)NCc1cccc(Cl)c1
InChIInChI=1S/C17H25ClN2O2.ClH/c18-14-8-4-7-13(9-14)11-20-17(22)16(21)15(19)10-12-5-2-1-3-6-12;/h4,7-9,12,15-16,21H,1-3,5-6,10-11,19H2,(H,20,22);1H
InChIKeyYREQNPJCMGBIMR-UHFFFAOYSA-N
MW361.31 g/mol
LogP3.04
Rot. Bonds6

About 3-amino-N-[(3-chlorophenyl)methyl]-4-cyclohexyl-2-hydroxybutanamide;hydrochloride

3-amino-N-[(3-chlorophenyl)methyl]-4-cyclohexyl-2-hydroxybutanamide;hydrochloride (PubChem CID 21199079) has the molecular formula C17H26Cl2N2O2 and a molecular weight of 361.31 g/mol. Its IUPAC name is 3-amino-N-[(3-chlorophenyl)methyl]-4-cyclohexyl-2-hydroxybutanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[(3-chlorophenyl)methyl]-4-cyclohexyl-2-hydroxybutanamide;hydrochloride
PubChem CID21199079
Molecular FormulaC17H26Cl2N2O2
Molecular Weight361.31 g/mol
Exact Mass360.14
IUPAC Name3-amino-N-[(3-chlorophenyl)methyl]-4-cyclohexyl-2-hydroxybutanamide;hydrochloride
SMILESCl.NC(CC1CCCCC1)C(O)C(=O)NCc1cccc(Cl)c1
InChIInChI=1S/C17H25ClN2O2.ClH/c18-14-8-4-7-13(9-14)11-20-17(22)16(21)15(19)10-12-5-2-1-3-6-12;/h4,7-9,12,15-16,21H,1-3,5-6,10-11,19H2,(H,20,22);1H
InChIKeyYREQNPJCMGBIMR-UHFFFAOYSA-N
XLogP3.04
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.31
LogP ≤ 53.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-amino-4-cyclohexyl-2-hydroxy-N-[(4-methoxyphenyl)methyl]butanamide
CID 15516889
(3R)-3-amino-N-[(E)-(4-chlorophenyl)methylideneamino]-4-cyclohexyl-2-hydroxybutanamide
CID 87998464
N-[(2S,3R)-3-amino-4-cyclohexyl-2-hydroxybutanoyl]naphthalene-1-carboxamide;hydrochloride
CID 70090671
1-chloro-3-(cyclopentylmethyl)benzene;cyclohexylurea
CID 170579151
2-amino-N-[(3-chlorophenyl)methyl]-3-methoxypropanamide
CID 81082143
2-amino-N-[(3-chlorophenyl)methyl]-3-methoxypropanamide;hydrochloride
CID 120983730
benzyl (2S)-2-[[(3R)-3-amino-4-cyclohexyl-2-hydroxybutanoyl]amino]propanoate
CID 10155562
benzyl 2-[[(3R)-3-amino-4-cyclohexyl-2-hydroxybutanoyl]amino]oxyacetate
CID 91156388
(3R)-3-amino-4-cyclohexyl-2-hydroxy-N-[2-oxo-2-(2-phenylethylamino)ethoxy]butanamide
CID 87998409
(2S)-1-[(2R)-2-amino-2-cyclohexylethyl]-N-[(3-chlorophenyl)methyl]pyrrolidine-2-carboxamide
CID 118736074
(2R)-3-cyclohexyl-N-[(3-ethanehydrazonoylphenyl)methyl]-2-methylpropanamide;methanamine
CID 144669385
N-[(3R)-3-amino-4-cyclohexyl-2-hydroxybutanoyl]-2,4-dichlorobenzohydrazide
CID 10362812

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(3-chlorophenyl)methyl]-4-cyclohexyl-2-hydroxybutanamide;hydrochloride?
The IUPAC name of 3-amino-N-[(3-chlorophenyl)methyl]-4-cyclohexyl-2-hydroxybutanamide;hydrochloride (CID 21199079) is 3-amino-N-[(3-chlorophenyl)methyl]-4-cyclohexyl-2-hydroxybutanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[(3-chlorophenyl)methyl]-4-cyclohexyl-2-hydroxybutanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[(3-chlorophenyl)methyl]-4-cyclohexyl-2-hydroxybutanamide;hydrochloride is Cl.NC(CC1CCCCC1)C(O)C(=O)NCc1cccc(Cl)c1.
What is the InChIKey of 3-amino-N-[(3-chlorophenyl)methyl]-4-cyclohexyl-2-hydroxybutanamide;hydrochloride?
The InChIKey is YREQNPJCMGBIMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O2.ClH/c18-14-8-4-7-13(9-14)11-20-17(22)16(21)15(19)10-12-5-2-1-3-6-12;/h4,7-9,12,15-16,21H,1-3,5-6,10-11,19H2,(H,20,22);1H.
What are the key properties of 3-amino-N-[(3-chlorophenyl)methyl]-4-cyclohexyl-2-hydroxybutanamide;hydrochloride?
3-amino-N-[(3-chlorophenyl)methyl]-4-cyclohexyl-2-hydroxybutanamide;hydrochloride has a molecular weight of 361.31 g/mol, XLogP of 3.04, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(3-chlorophenyl)methyl]-4-cyclohexyl-2-hydroxybutanamide;hydrochloride is sourced from PubChem (CID 21199079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).