(3R)-3-amino-N-[(E)-(4-chlorophenyl)methylideneamino]-4-cyclohexyl-2-hydroxybutanamide

C17H24ClN3O2 — CID 87998464

IUPAC(3R)-3-amino-N-[(E)-(4-chlorophenyl)methylideneamino]-4-cyclohexyl-2-hydroxybutanamide
SMILESN[C@H](CC1CCCCC1)C(O)C(=O)N/N=C/c1ccc(Cl)cc1
InChIInChI=1S/C17H24ClN3O2/c18-14-8-6-13(7-9-14)11-20-21-17(23)16(22)15(19)10-12-4-2-1-3-5-12/h6-9,11-12,15-16,22H,1-5,10,19H2,(H,21,23)/b20-11+/t15-,16?/m1/s1
InChIKeyFHPXOIZPSCTYRO-NQMKKDSSSA-N
MW337.85 g/mol
LogP2.45
Rot. Bonds6

About (3R)-3-amino-N-[(E)-(4-chlorophenyl)methylideneamino]-4-cyclohexyl-2-hydroxybutanamide

(3R)-3-amino-N-[(E)-(4-chlorophenyl)methylideneamino]-4-cyclohexyl-2-hydroxybutanamide (PubChem CID 87998464) has the molecular formula C17H24ClN3O2 and a molecular weight of 337.85 g/mol. Its IUPAC name is (3R)-3-amino-N-[(E)-(4-chlorophenyl)methylideneamino]-4-cyclohexyl-2-hydroxybutanamide.

Molecular Properties

Compound Name(3R)-3-amino-N-[(E)-(4-chlorophenyl)methylideneamino]-4-cyclohexyl-2-hydroxybutanamide
PubChem CID87998464
Molecular FormulaC17H24ClN3O2
Molecular Weight337.85 g/mol
Exact Mass337.16
IUPAC Name(3R)-3-amino-N-[(E)-(4-chlorophenyl)methylideneamino]-4-cyclohexyl-2-hydroxybutanamide
SMILESN[C@H](CC1CCCCC1)C(O)C(=O)N/N=C/c1ccc(Cl)cc1
InChIInChI=1S/C17H24ClN3O2/c18-14-8-6-13(7-9-14)11-20-21-17(23)16(22)15(19)10-12-4-2-1-3-5-12/h6-9,11-12,15-16,22H,1-5,10,19H2,(H,21,23)/b20-11+/t15-,16?/m1/s1
InChIKeyFHPXOIZPSCTYRO-NQMKKDSSSA-N
XLogP2.45
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.85
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-(4-chlorophenyl)methylideneamino]cyclohexanecarboxamide
CID 5427449
3-amino-N-[(3-chlorophenyl)methyl]-4-cyclohexyl-2-hydroxybutanamide;hydrochloride
CID 21199079
N-[(Z)-(4-chlorophenyl)methylideneamino]-2,3,4,5,6-pentahydroxyhexanamide
CID 6060051
(3R)-3-amino-4-cyclohexyl-N-(4-fluorophenyl)-2-hydroxybutanamide
CID 54413400
(2R,3S)-3-amino-4-cyclohexyl-2-hydroxybutanoic acid
CID 10987299
[(Z)-(4-chlorophenyl)methylideneamino]urea
CID 6079769
(3R)-3-amino-4-cyclohexyl-2-hydroxy-N-(2-methylphenyl)butanamide
CID 70065939
N-[(3R)-3-amino-4-cyclohexyl-2-hydroxybutanoyl]-2,4-dichlorobenzohydrazide
CID 10362812
2-(azepan-1-yl)-N-[(4-chlorophenyl)methylideneamino]acetamide
CID 786188
1-amino-3-[(E)-(4-chlorophenyl)methylideneamino]urea
CID 88822075
N-[(Z)-(4-chlorophenyl)methylideneamino]-2-phenyl-2-piperidin-1-ylacetamide
CID 6044072
N-[(E)-(4-chlorophenyl)methylideneamino]-2-phenyl-2-piperidin-1-ylacetamide
CID 5380919

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-N-[(E)-(4-chlorophenyl)methylideneamino]-4-cyclohexyl-2-hydroxybutanamide?
The IUPAC name of (3R)-3-amino-N-[(E)-(4-chlorophenyl)methylideneamino]-4-cyclohexyl-2-hydroxybutanamide (CID 87998464) is (3R)-3-amino-N-[(E)-(4-chlorophenyl)methylideneamino]-4-cyclohexyl-2-hydroxybutanamide.
What is the SMILES notation for (3R)-3-amino-N-[(E)-(4-chlorophenyl)methylideneamino]-4-cyclohexyl-2-hydroxybutanamide?
The canonical SMILES for (3R)-3-amino-N-[(E)-(4-chlorophenyl)methylideneamino]-4-cyclohexyl-2-hydroxybutanamide is N[C@H](CC1CCCCC1)C(O)C(=O)N/N=C/c1ccc(Cl)cc1.
What is the InChIKey of (3R)-3-amino-N-[(E)-(4-chlorophenyl)methylideneamino]-4-cyclohexyl-2-hydroxybutanamide?
The InChIKey is FHPXOIZPSCTYRO-NQMKKDSSSA-N. The full InChI is InChI=1S/C17H24ClN3O2/c18-14-8-6-13(7-9-14)11-20-21-17(23)16(22)15(19)10-12-4-2-1-3-5-12/h6-9,11-12,15-16,22H,1-5,10,19H2,(H,21,23)/b20-11+/t15-,16?/m1/s1.
What are the key properties of (3R)-3-amino-N-[(E)-(4-chlorophenyl)methylideneamino]-4-cyclohexyl-2-hydroxybutanamide?
(3R)-3-amino-N-[(E)-(4-chlorophenyl)methylideneamino]-4-cyclohexyl-2-hydroxybutanamide has a molecular weight of 337.85 g/mol, XLogP of 2.45, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-N-[(E)-(4-chlorophenyl)methylideneamino]-4-cyclohexyl-2-hydroxybutanamide is sourced from PubChem (CID 87998464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).