[1-(4-cyclohexylphenyl)ethylideneamino] N-naphthalen-1-ylcarbamate

C25H26N2O2 — CID 4568499

IUPAC[1-(4-cyclohexylphenyl)ethylideneamino] N-naphthalen-1-ylcarbamate
SMILESCC(=NOC(=O)Nc1cccc2ccccc12)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C25H26N2O2/c1-18(19-14-16-21(17-15-19)20-8-3-2-4-9-20)27-29-25(28)26-24-13-7-11-22-10-5-6-12-23(22)24/h5-7,10-17,20H,2-4,8-9H2,1H3,(H,26,28)
InChIKeyPMPBDPHVBHLCIJ-UHFFFAOYSA-N
MW386.50 g/mol
LogP6.86
Rot. Bonds4

About [1-(4-cyclohexylphenyl)ethylideneamino] N-naphthalen-1-ylcarbamate

[1-(4-cyclohexylphenyl)ethylideneamino] N-naphthalen-1-ylcarbamate (PubChem CID 4568499) has the molecular formula C25H26N2O2 and a molecular weight of 386.50 g/mol. Its IUPAC name is [1-(4-cyclohexylphenyl)ethylideneamino] N-naphthalen-1-ylcarbamate.

Molecular Properties

Compound Name[1-(4-cyclohexylphenyl)ethylideneamino] N-naphthalen-1-ylcarbamate
PubChem CID4568499
Molecular FormulaC25H26N2O2
Molecular Weight386.50 g/mol
Exact Mass386.20
IUPAC Name[1-(4-cyclohexylphenyl)ethylideneamino] N-naphthalen-1-ylcarbamate
SMILESCC(=NOC(=O)Nc1cccc2ccccc12)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C25H26N2O2/c1-18(19-14-16-21(17-15-19)20-8-3-2-4-9-20)27-29-25(28)26-24-13-7-11-22-10-5-6-12-23(22)24/h5-7,10-17,20H,2-4,8-9H2,1H3,(H,26,28)
InChIKeyPMPBDPHVBHLCIJ-UHFFFAOYSA-N
XLogP6.86
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.50
LogP ≤ 56.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(E)-[(3E)-3-(naphthalen-1-ylcarbamoyloxyimino)butan-2-ylidene]amino] N-naphthalen-1-ylcarbamate
CID 43835675
[(Z)-[1-(4-methylphenyl)-1-oxopropan-2-ylidene]amino] N-naphthalen-1-ylcarbamate
CID 6241092
[(Z)-1-phenyldodecylideneamino] N-naphthalen-1-ylcarbamate
CID 6535809
1-N,4-N-bis[(Z)-1-(4-cyclohexylphenyl)ethylideneamino]benzene-1,4-dicarboxamide
CID 6256670
N-cyclododecyl-N'-naphthalen-1-yloxamide
CID 108517411
methyl 4-[3-(4-cyclohexylphenyl)-3-oxopropanoyl]benzoate
CID 67375575
[2-(4-cyclohexylphenyl)-2-oxoethyl] 3-acetamidopropanoate
CID 7197417
N-[(4-cyclopentylphenyl)methyl]acetamide
CID 66695215
ethyl (2R)-2-cyclohexyl-3-(naphthalen-1-ylamino)-3-oxopropanoate
CID 762597
(1-ethynylcyclohexyl) N-naphthalen-1-ylcarbamate
CID 588584
trans-(1R,2R)-2-(naphthalen-1-ylcarbamoyl)cyclohexane-1-carboxylic acid
CID 823443
4-[cyclopentyl(methyl)sulfamoyl]-N-naphthalen-1-ylbenzamide
CID 7656072

Frequently Asked Questions

What is the IUPAC name of [1-(4-cyclohexylphenyl)ethylideneamino] N-naphthalen-1-ylcarbamate?
The IUPAC name of [1-(4-cyclohexylphenyl)ethylideneamino] N-naphthalen-1-ylcarbamate (CID 4568499) is [1-(4-cyclohexylphenyl)ethylideneamino] N-naphthalen-1-ylcarbamate.
What is the SMILES notation for [1-(4-cyclohexylphenyl)ethylideneamino] N-naphthalen-1-ylcarbamate?
The canonical SMILES for [1-(4-cyclohexylphenyl)ethylideneamino] N-naphthalen-1-ylcarbamate is CC(=NOC(=O)Nc1cccc2ccccc12)c1ccc(C2CCCCC2)cc1.
What is the InChIKey of [1-(4-cyclohexylphenyl)ethylideneamino] N-naphthalen-1-ylcarbamate?
The InChIKey is PMPBDPHVBHLCIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O2/c1-18(19-14-16-21(17-15-19)20-8-3-2-4-9-20)27-29-25(28)26-24-13-7-11-22-10-5-6-12-23(22)24/h5-7,10-17,20H,2-4,8-9H2,1H3,(H,26,28).
What are the key properties of [1-(4-cyclohexylphenyl)ethylideneamino] N-naphthalen-1-ylcarbamate?
[1-(4-cyclohexylphenyl)ethylideneamino] N-naphthalen-1-ylcarbamate has a molecular weight of 386.50 g/mol, XLogP of 6.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-cyclohexylphenyl)ethylideneamino] N-naphthalen-1-ylcarbamate is sourced from PubChem (CID 4568499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).