N-[(E)-(1-hydroxynaphthalen-2-yl)methylideneamino]cyclohexanecarboxamide

C18H20N2O2 — CID 135615209

IUPACN-[(E)-(1-hydroxynaphthalen-2-yl)methylideneamino]cyclohexanecarboxamide
SMILESO=C(N/N=C/c1ccc2ccccc2c1O)C1CCCCC1
InChIInChI=1S/C18H20N2O2/c21-17-15(11-10-13-6-4-5-9-16(13)17)12-19-20-18(22)14-7-2-1-3-8-14/h4-6,9-12,14,21H,1-3,7-8H2,(H,20,22)/b19-12+
InChIKeyUDZHGXVSFPGNQT-XDHOZWIPSA-N
MW296.37 g/mol
LogP3.58
Rot. Bonds3

About N-[(E)-(1-hydroxynaphthalen-2-yl)methylideneamino]cyclohexanecarboxamide

N-[(E)-(1-hydroxynaphthalen-2-yl)methylideneamino]cyclohexanecarboxamide (PubChem CID 135615209) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is N-[(E)-(1-hydroxynaphthalen-2-yl)methylideneamino]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[(E)-(1-hydroxynaphthalen-2-yl)methylideneamino]cyclohexanecarboxamide
PubChem CID135615209
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC NameN-[(E)-(1-hydroxynaphthalen-2-yl)methylideneamino]cyclohexanecarboxamide
SMILESO=C(N/N=C/c1ccc2ccccc2c1O)C1CCCCC1
InChIInChI=1S/C18H20N2O2/c21-17-15(11-10-13-6-4-5-9-16(13)17)12-19-20-18(22)14-7-2-1-3-8-14/h4-6,9-12,14,21H,1-3,7-8H2,(H,20,22)/b19-12+
InChIKeyUDZHGXVSFPGNQT-XDHOZWIPSA-N
XLogP3.58
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-naphthalen-1-ylmethylideneamino]cyclopropanecarboxamide
CID 5420009
N-[(Z)-(2-bromophenyl)methylideneamino]cyclohexanecarboxamide
CID 6079987
N,N'-bis[(1-hydroxynaphthalen-2-yl)methylideneamino]pentanediamide
CID 4547663
N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]cyclohexanecarboxamide
CID 135532188
2-chloro-N-[(Z)-(1-hydroxynaphthalen-2-yl)methylideneamino]benzamide
CID 135782033
N-[(2,3-dihydroxyphenyl)methylideneamino]cyclopropanecarboxamide
CID 2693831
N-[(E)-benzylideneamino]cyclopentanecarboxamide
CID 139230611
1-N,4-N-bis[(Z)-(2-hydroxyphenyl)methylideneamino]cyclohexane-1,4-dicarboxamide
CID 135977022
2-[(Z)-(cyclopentanecarbonylhydrazinylidene)methyl]benzoic acid
CID 26871360
N-(1H-indol-3-ylmethylideneamino)cyclobutanecarboxamide
CID 154480630
2-N,5-N-bis[(E)-(1-hydroxynaphthalen-2-yl)methylideneamino]furan-2,5-dicarboxamide
CID 135837519
2-N,5-N-bis[(1-hydroxynaphthalen-2-yl)methylideneamino]furan-2,5-dicarboxamide
CID 4670148

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(1-hydroxynaphthalen-2-yl)methylideneamino]cyclohexanecarboxamide?
The IUPAC name of N-[(E)-(1-hydroxynaphthalen-2-yl)methylideneamino]cyclohexanecarboxamide (CID 135615209) is N-[(E)-(1-hydroxynaphthalen-2-yl)methylideneamino]cyclohexanecarboxamide.
What is the SMILES notation for N-[(E)-(1-hydroxynaphthalen-2-yl)methylideneamino]cyclohexanecarboxamide?
The canonical SMILES for N-[(E)-(1-hydroxynaphthalen-2-yl)methylideneamino]cyclohexanecarboxamide is O=C(N/N=C/c1ccc2ccccc2c1O)C1CCCCC1.
What is the InChIKey of N-[(E)-(1-hydroxynaphthalen-2-yl)methylideneamino]cyclohexanecarboxamide?
The InChIKey is UDZHGXVSFPGNQT-XDHOZWIPSA-N. The full InChI is InChI=1S/C18H20N2O2/c21-17-15(11-10-13-6-4-5-9-16(13)17)12-19-20-18(22)14-7-2-1-3-8-14/h4-6,9-12,14,21H,1-3,7-8H2,(H,20,22)/b19-12+.
What are the key properties of N-[(E)-(1-hydroxynaphthalen-2-yl)methylideneamino]cyclohexanecarboxamide?
N-[(E)-(1-hydroxynaphthalen-2-yl)methylideneamino]cyclohexanecarboxamide has a molecular weight of 296.37 g/mol, XLogP of 3.58, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(1-hydroxynaphthalen-2-yl)methylideneamino]cyclohexanecarboxamide is sourced from PubChem (CID 135615209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).