N-[(Z)-1-(4-methoxyphenyl)propylideneamino]cyclohexanecarboxamide

C17H24N2O2 — CID 5411890

IUPACN-[(Z)-1-(4-methoxyphenyl)propylideneamino]cyclohexanecarboxamide
SMILESCC/C(=N/NC(=O)C1CCCCC1)c1ccc(OC)cc1
InChIInChI=1S/C17H24N2O2/c1-3-16(13-9-11-15(21-2)12-10-13)18-19-17(20)14-7-5-4-6-8-14/h9-12,14H,3-8H2,1-2H3,(H,19,20)/b18-16-
InChIKeyWCSNSWIPSIDFQB-VLGSPTGOSA-N
MW288.39 g/mol
LogP3.51
Rot. Bonds5

About N-[(Z)-1-(4-methoxyphenyl)propylideneamino]cyclohexanecarboxamide

N-[(Z)-1-(4-methoxyphenyl)propylideneamino]cyclohexanecarboxamide (PubChem CID 5411890) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is N-[(Z)-1-(4-methoxyphenyl)propylideneamino]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[(Z)-1-(4-methoxyphenyl)propylideneamino]cyclohexanecarboxamide
PubChem CID5411890
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC NameN-[(Z)-1-(4-methoxyphenyl)propylideneamino]cyclohexanecarboxamide
SMILESCC/C(=N/NC(=O)C1CCCCC1)c1ccc(OC)cc1
InChIInChI=1S/C17H24N2O2/c1-3-16(13-9-11-15(21-2)12-10-13)18-19-17(20)14-7-5-4-6-8-14/h9-12,14H,3-8H2,1-2H3,(H,19,20)/b18-16-
InChIKeyWCSNSWIPSIDFQB-VLGSPTGOSA-N
XLogP3.51
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[1-(3-bromophenyl)propylideneamino]cyclopentanecarboxamide
CID 24818451
2-chloro-N-[1-(4-methoxyphenyl)propylideneamino]benzamide
CID 4096350
N-[(E)-1-(4-methoxyphenyl)propylideneamino]pentanamide
CID 6379049
N-[(Z)-1-(4-methoxyphenyl)propan-2-ylideneamino]cyclopropanecarboxamide
CID 9234745
methyl N-[(Z)-1-(6-methoxynaphthalen-2-yl)propylideneamino]carbamate
CID 8972630
2,2-dibromo-N-[(E)-1-(4-methoxyphenyl)propylideneamino]-1-methylcyclopropane-1-carboxamide
CID 17338093
N-[1-(4-methoxyphenyl)propylideneamino]-4-phenylbenzamide
CID 5000617
N-(1-naphthalen-2-ylethylideneamino)cyclohexanecarboxamide
CID 832851
N-[1-(4-methoxyphenyl)propyl]cyclohexanecarboxamide
CID 18115473
N-[(Z)-1-(4-methoxyphenyl)propylideneamino]pyridine-3-carboxamide
CID 6062098
N-[(Z)-1-(3-bromophenyl)propylideneamino]cyclopropanecarboxamide
CID 9233990
N-[(E)-1-(4-methoxyphenyl)propylideneamino]decanamide
CID 6004456

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(4-methoxyphenyl)propylideneamino]cyclohexanecarboxamide?
The IUPAC name of N-[(Z)-1-(4-methoxyphenyl)propylideneamino]cyclohexanecarboxamide (CID 5411890) is N-[(Z)-1-(4-methoxyphenyl)propylideneamino]cyclohexanecarboxamide.
What is the SMILES notation for N-[(Z)-1-(4-methoxyphenyl)propylideneamino]cyclohexanecarboxamide?
The canonical SMILES for N-[(Z)-1-(4-methoxyphenyl)propylideneamino]cyclohexanecarboxamide is CC/C(=N/NC(=O)C1CCCCC1)c1ccc(OC)cc1.
What is the InChIKey of N-[(Z)-1-(4-methoxyphenyl)propylideneamino]cyclohexanecarboxamide?
The InChIKey is WCSNSWIPSIDFQB-VLGSPTGOSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-3-16(13-9-11-15(21-2)12-10-13)18-19-17(20)14-7-5-4-6-8-14/h9-12,14H,3-8H2,1-2H3,(H,19,20)/b18-16-.
What are the key properties of N-[(Z)-1-(4-methoxyphenyl)propylideneamino]cyclohexanecarboxamide?
N-[(Z)-1-(4-methoxyphenyl)propylideneamino]cyclohexanecarboxamide has a molecular weight of 288.39 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(4-methoxyphenyl)propylideneamino]cyclohexanecarboxamide is sourced from PubChem (CID 5411890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).