N-[(3-methylcyclohexylidene)amino]-4-prop-2-enoxybenzamide

C17H22N2O2 — CID 4925778

IUPACN-[(3-methylcyclohexylidene)amino]-4-prop-2-enoxybenzamide
SMILESC=CCOc1ccc(C(=O)NN=C2CCCC(C)C2)cc1
InChIInChI=1S/C17H22N2O2/c1-3-11-21-16-9-7-14(8-10-16)17(20)19-18-15-6-4-5-13(2)12-15/h3,7-10,13H,1,4-6,11-12H2,2H3,(H,19,20)
InChIKeyZLTWUDYNBFMRLF-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.55
Rot. Bonds5

About N-[(3-methylcyclohexylidene)amino]-4-prop-2-enoxybenzamide

N-[(3-methylcyclohexylidene)amino]-4-prop-2-enoxybenzamide (PubChem CID 4925778) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is N-[(3-methylcyclohexylidene)amino]-4-prop-2-enoxybenzamide.

Molecular Properties

Compound NameN-[(3-methylcyclohexylidene)amino]-4-prop-2-enoxybenzamide
PubChem CID4925778
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC NameN-[(3-methylcyclohexylidene)amino]-4-prop-2-enoxybenzamide
SMILESC=CCOc1ccc(C(=O)NN=C2CCCC(C)C2)cc1
InChIInChI=1S/C17H22N2O2/c1-3-11-21-16-9-7-14(8-10-16)17(20)19-18-15-6-4-5-13(2)12-15/h3,7-10,13H,1,4-6,11-12H2,2H3,(H,19,20)
InChIKeyZLTWUDYNBFMRLF-UHFFFAOYSA-N
XLogP3.55
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(3-methylcyclohexylidene)amino]-4-prop-2-enoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-decoxy-N-[(E)-(3-methylcyclohexylidene)amino]benzamide
CID 171980771
4-hydroxy-N-[(E)-[(3S)-3-methylcyclohexylidene]amino]benzamide
CID 6339655
4-acetamido-N-[[(3R)-3-methylcyclohexylidene]amino]benzamide
CID 910317
3,4,5-triethoxy-N-[(Z)-[(3S)-3-methylcyclohexylidene]amino]benzamide
CID 7858460
N-[(3-methylcyclohexylidene)amino]-2-(4-phenylphenoxy)acetamide
CID 3270935
N-[(Z)-[(3S)-3-methylcyclohexylidene]amino]-2-(2-phenoxyethoxy)benzamide
CID 7435064
4-(cyclohexanecarbonylamino)-N-[(3-methylcyclohexylidene)amino]benzamide
CID 4510435
2-(4-ethylphenoxy)-N-[(Z)-[(3S)-3-methylcyclohexylidene]amino]acetamide
CID 7823428
N-(1-cyclopropylethylideneamino)-4-prop-2-enoxybenzamide
CID 4925730
3-iodo-4-methoxy-N-[[(3S)-3-methylcyclohexylidene]amino]benzamide
CID 129460274
2-N,5-N-bis[(Z)-[(3S)-3-methylcyclohexylidene]amino]furan-2,5-dicarboxamide
CID 51900558
2-N,5-N-bis[(E)-(3-methylcyclohexylidene)amino]furan-2,5-dicarboxamide
CID 19579653

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylcyclohexylidene)amino]-4-prop-2-enoxybenzamide?
The IUPAC name of N-[(3-methylcyclohexylidene)amino]-4-prop-2-enoxybenzamide (CID 4925778) is N-[(3-methylcyclohexylidene)amino]-4-prop-2-enoxybenzamide.
What is the SMILES notation for N-[(3-methylcyclohexylidene)amino]-4-prop-2-enoxybenzamide?
The canonical SMILES for N-[(3-methylcyclohexylidene)amino]-4-prop-2-enoxybenzamide is C=CCOc1ccc(C(=O)NN=C2CCCC(C)C2)cc1.
What is the InChIKey of N-[(3-methylcyclohexylidene)amino]-4-prop-2-enoxybenzamide?
The InChIKey is ZLTWUDYNBFMRLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-3-11-21-16-9-7-14(8-10-16)17(20)19-18-15-6-4-5-13(2)12-15/h3,7-10,13H,1,4-6,11-12H2,2H3,(H,19,20).
What are the key properties of N-[(3-methylcyclohexylidene)amino]-4-prop-2-enoxybenzamide?
N-[(3-methylcyclohexylidene)amino]-4-prop-2-enoxybenzamide has a molecular weight of 286.38 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylcyclohexylidene)amino]-4-prop-2-enoxybenzamide is sourced from PubChem (CID 4925778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).