(2S)-N-cyclohexyl-2-[(2-hydroxynaphthalen-1-yl)methylideneamino]-2-phenylacetamide

C25H26N2O2 — CID 135492595

IUPAC(2S)-N-cyclohexyl-2-[(2-hydroxynaphthalen-1-yl)methylideneamino]-2-phenylacetamide
SMILESO=C(NC1CCCCC1)[C@@H](/N=C/c1c(O)ccc2ccccc12)c1ccccc1
InChIInChI=1S/C25H26N2O2/c28-23-16-15-18-9-7-8-14-21(18)22(23)17-26-24(19-10-3-1-4-11-19)25(29)27-20-12-5-2-6-13-20/h1,3-4,7-11,14-17,20,24,28H,2,5-6,12-13H2,(H,27,29)/b26-17+/t24-/m0/s1
InChIKeyJJVBMPUHVBUWTN-MSIOFZDNSA-N
MW386.50 g/mol
LogP5.15
Rot. Bonds5

About (2S)-N-cyclohexyl-2-[(2-hydroxynaphthalen-1-yl)methylideneamino]-2-phenylacetamide

(2S)-N-cyclohexyl-2-[(2-hydroxynaphthalen-1-yl)methylideneamino]-2-phenylacetamide (PubChem CID 135492595) has the molecular formula C25H26N2O2 and a molecular weight of 386.50 g/mol. Its IUPAC name is (2S)-N-cyclohexyl-2-[(2-hydroxynaphthalen-1-yl)methylideneamino]-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-N-cyclohexyl-2-[(2-hydroxynaphthalen-1-yl)methylideneamino]-2-phenylacetamide
PubChem CID135492595
Molecular FormulaC25H26N2O2
Molecular Weight386.50 g/mol
Exact Mass386.20
IUPAC Name(2S)-N-cyclohexyl-2-[(2-hydroxynaphthalen-1-yl)methylideneamino]-2-phenylacetamide
SMILESO=C(NC1CCCCC1)[C@@H](/N=C/c1c(O)ccc2ccccc12)c1ccccc1
InChIInChI=1S/C25H26N2O2/c28-23-16-15-18-9-7-8-14-21(18)22(23)17-26-24(19-10-3-1-4-11-19)25(29)27-20-12-5-2-6-13-20/h1,3-4,7-11,14-17,20,24,28H,2,5-6,12-13H2,(H,27,29)/b26-17+/t24-/m0/s1
InChIKeyJJVBMPUHVBUWTN-MSIOFZDNSA-N
XLogP5.15
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.50
LogP ≤ 55.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-N-cyclohexyl-2-[(2-hydroxynaphthalen-1-yl)methylideneamino]-4-methylpentanamide
CID 135516858
1-[[2-[(2-hydroxynaphthalen-1-yl)methylideneamino]-1,2-diphenylethyl]iminomethyl]naphthalen-2-ol
CID 3576819
1-(benzhydryliminomethyl)naphthalen-2-ol
CID 135592591
N-cyclopropyl-N'-[(2-hydroxynaphthalen-1-yl)methylideneamino]oxamide
CID 3537553
N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2,2-diphenylacetamide
CID 135679666
1-[(2-hydroxy-1-phenylethyl)iminomethyl]naphthalen-2-ol
CID 136843980
(2S)-2-[(2-hydroxynaphthalen-1-yl)methylideneamino]-3,3-dimethylbutanoic acid
CID 135445295
1-(propan-2-yliminomethyl)naphthalen-2-ol
CID 4779256
(2R)-2-amino-N-cycloheptyl-2-phenylacetamide
CID 61148121
methyl (2S)-2-[(2-hydroxynaphthalen-1-yl)methylideneamino]propanoate
CID 135855183
N-cycloheptyl-2-phenylbutanamide
CID 2890971
CID 134122178
CID 134122178

Frequently Asked Questions

What is the IUPAC name of (2S)-N-cyclohexyl-2-[(2-hydroxynaphthalen-1-yl)methylideneamino]-2-phenylacetamide?
The IUPAC name of (2S)-N-cyclohexyl-2-[(2-hydroxynaphthalen-1-yl)methylideneamino]-2-phenylacetamide (CID 135492595) is (2S)-N-cyclohexyl-2-[(2-hydroxynaphthalen-1-yl)methylideneamino]-2-phenylacetamide.
What is the SMILES notation for (2S)-N-cyclohexyl-2-[(2-hydroxynaphthalen-1-yl)methylideneamino]-2-phenylacetamide?
The canonical SMILES for (2S)-N-cyclohexyl-2-[(2-hydroxynaphthalen-1-yl)methylideneamino]-2-phenylacetamide is O=C(NC1CCCCC1)[C@@H](/N=C/c1c(O)ccc2ccccc12)c1ccccc1.
What is the InChIKey of (2S)-N-cyclohexyl-2-[(2-hydroxynaphthalen-1-yl)methylideneamino]-2-phenylacetamide?
The InChIKey is JJVBMPUHVBUWTN-MSIOFZDNSA-N. The full InChI is InChI=1S/C25H26N2O2/c28-23-16-15-18-9-7-8-14-21(18)22(23)17-26-24(19-10-3-1-4-11-19)25(29)27-20-12-5-2-6-13-20/h1,3-4,7-11,14-17,20,24,28H,2,5-6,12-13H2,(H,27,29)/b26-17+/t24-/m0/s1.
What are the key properties of (2S)-N-cyclohexyl-2-[(2-hydroxynaphthalen-1-yl)methylideneamino]-2-phenylacetamide?
(2S)-N-cyclohexyl-2-[(2-hydroxynaphthalen-1-yl)methylideneamino]-2-phenylacetamide has a molecular weight of 386.50 g/mol, XLogP of 5.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-cyclohexyl-2-[(2-hydroxynaphthalen-1-yl)methylideneamino]-2-phenylacetamide is sourced from PubChem (CID 135492595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).