N-[(4-ethylcyclohexylidene)amino]-4-methylbenzamide

C16H22N2O — CID 3680636

IUPACN-[(4-ethylcyclohexylidene)amino]-4-methylbenzamide
SMILESCCC1CCC(=NNC(=O)c2ccc(C)cc2)CC1
InChIInChI=1S/C16H22N2O/c1-3-13-6-10-15(11-7-13)17-18-16(19)14-8-4-12(2)5-9-14/h4-5,8-9,13H,3,6-7,10-11H2,1-2H3,(H,18,19)/b17-15-
InChIKeySTEZGUNALOFIIP-ICFOKQHNSA-N
MW258.37 g/mol
LogP3.68
Rot. Bonds3

About N-[(4-ethylcyclohexylidene)amino]-4-methylbenzamide

N-[(4-ethylcyclohexylidene)amino]-4-methylbenzamide (PubChem CID 3680636) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is N-[(4-ethylcyclohexylidene)amino]-4-methylbenzamide.

Molecular Properties

Compound NameN-[(4-ethylcyclohexylidene)amino]-4-methylbenzamide
PubChem CID3680636
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC NameN-[(4-ethylcyclohexylidene)amino]-4-methylbenzamide
SMILESCCC1CCC(=NNC(=O)c2ccc(C)cc2)CC1
InChIInChI=1S/C16H22N2O/c1-3-13-6-10-15(11-7-13)17-18-16(19)14-8-4-12(2)5-9-14/h4-5,8-9,13H,3,6-7,10-11H2,1-2H3,(H,18,19)/b17-15-
InChIKeySTEZGUNALOFIIP-ICFOKQHNSA-N
XLogP3.68
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

2-chloro-N-[(4-ethylcyclohexylidene)amino]benzamide
CID 3378905
N-[(Z)-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-ylidene]amino]-4-methylbenzamide
CID 9175166
2-bromo-N-[(4-ethylcyclohexylidene)amino]benzamide
CID 4143274
4-ethoxy-N-[(4-propylcyclohexylidene)amino]benzamide
CID 4109635
N,N'-bis[(4-ethylcyclohexylidene)amino]butanediamide
CID 4149698
N-[(4-methylcyclohexylidene)amino]-4-phenylbenzamide
CID 4137154
1-N,4-N-bis[(4-phenylcyclohexylidene)amino]benzene-1,4-dicarboxamide
CID 4994656
N-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]benzamide
CID 5240480
N-[(4-ethylcyclohexylidene)amino]-2-(4-methyl-2-propan-2-ylphenoxy)acetamide
CID 4250895
3-chloro-N-[(4-propylcyclohexylidene)amino]benzamide
CID 5115371
N-[(4-ethylcyclohexylidene)amino]-2-phenylcyclopropane-1-carboxamide
CID 4080712
N-(cyclopentylideneamino)-4-(propanoylamino)benzamide
CID 910224

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylcyclohexylidene)amino]-4-methylbenzamide?
The IUPAC name of N-[(4-ethylcyclohexylidene)amino]-4-methylbenzamide (CID 3680636) is N-[(4-ethylcyclohexylidene)amino]-4-methylbenzamide.
What is the SMILES notation for N-[(4-ethylcyclohexylidene)amino]-4-methylbenzamide?
The canonical SMILES for N-[(4-ethylcyclohexylidene)amino]-4-methylbenzamide is CCC1CCC(=NNC(=O)c2ccc(C)cc2)CC1.
What is the InChIKey of N-[(4-ethylcyclohexylidene)amino]-4-methylbenzamide?
The InChIKey is STEZGUNALOFIIP-ICFOKQHNSA-N. The full InChI is InChI=1S/C16H22N2O/c1-3-13-6-10-15(11-7-13)17-18-16(19)14-8-4-12(2)5-9-14/h4-5,8-9,13H,3,6-7,10-11H2,1-2H3,(H,18,19)/b17-15-.
What are the key properties of N-[(4-ethylcyclohexylidene)amino]-4-methylbenzamide?
N-[(4-ethylcyclohexylidene)amino]-4-methylbenzamide has a molecular weight of 258.37 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylcyclohexylidene)amino]-4-methylbenzamide is sourced from PubChem (CID 3680636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).