4-(cyclohexanecarbonylamino)-N-[(3-methylcyclohexylidene)amino]benzamide

C21H29N3O2 — CID 4510435

IUPAC4-(cyclohexanecarbonylamino)-N-[(3-methylcyclohexylidene)amino]benzamide
SMILESCC1CCCC(=NNC(=O)c2ccc(NC(=O)C3CCCCC3)cc2)C1
InChIInChI=1S/C21H29N3O2/c1-15-6-5-9-19(14-15)23-24-21(26)17-10-12-18(13-11-17)22-20(25)16-7-3-2-4-8-16/h10-13,15-16H,2-9,14H2,1H3,(H,22,25)(H,24,26)
InChIKeyADLABAVKCCQERA-UHFFFAOYSA-N
MW355.48 g/mol
LogP4.50
Rot. Bonds4

About 4-(cyclohexanecarbonylamino)-N-[(3-methylcyclohexylidene)amino]benzamide

4-(cyclohexanecarbonylamino)-N-[(3-methylcyclohexylidene)amino]benzamide (PubChem CID 4510435) has the molecular formula C21H29N3O2 and a molecular weight of 355.48 g/mol. Its IUPAC name is 4-(cyclohexanecarbonylamino)-N-[(3-methylcyclohexylidene)amino]benzamide.

Molecular Properties

Compound Name4-(cyclohexanecarbonylamino)-N-[(3-methylcyclohexylidene)amino]benzamide
PubChem CID4510435
Molecular FormulaC21H29N3O2
Molecular Weight355.48 g/mol
Exact Mass355.23
IUPAC Name4-(cyclohexanecarbonylamino)-N-[(3-methylcyclohexylidene)amino]benzamide
SMILESCC1CCCC(=NNC(=O)c2ccc(NC(=O)C3CCCCC3)cc2)C1
InChIInChI=1S/C21H29N3O2/c1-15-6-5-9-19(14-15)23-24-21(26)17-10-12-18(13-11-17)22-20(25)16-7-3-2-4-8-16/h10-13,15-16H,2-9,14H2,1H3,(H,22,25)(H,24,26)
InChIKeyADLABAVKCCQERA-UHFFFAOYSA-N
XLogP4.50
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 54.50
H-Bond Donors ≤ 52
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

4-acetamido-N-[[(3R)-3-methylcyclohexylidene]amino]benzamide
CID 910317
4-hydroxy-N-[(E)-[(3S)-3-methylcyclohexylidene]amino]benzamide
CID 6339655
1-N,4-N-bis[1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]benzene-1,4-dicarboxamide
CID 3422993
4-acetamido-N-(cyclohexylideneamino)benzamide
CID 4510356
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
4-(cyclohexanecarbonylamino)-N-[1-(4-methylphenyl)ethylideneamino]benzamide
CID 4510434
4-decoxy-N-[(E)-(3-methylcyclohexylidene)amino]benzamide
CID 171980771
4-tert-butyl-N-[1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]benzamide
CID 4250285
4-chloro-N-[1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]benzamide
CID 4047404
N-[(Z)-[(3R)-3-methylcyclohexylidene]amino]-N'-[(Z)-[(3S)-3-methylcyclohexylidene]amino]oxamide
CID 27492851
3-iodo-4-methoxy-N-[[(3S)-3-methylcyclohexylidene]amino]benzamide
CID 129460274

Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexanecarbonylamino)-N-[(3-methylcyclohexylidene)amino]benzamide?
The IUPAC name of 4-(cyclohexanecarbonylamino)-N-[(3-methylcyclohexylidene)amino]benzamide (CID 4510435) is 4-(cyclohexanecarbonylamino)-N-[(3-methylcyclohexylidene)amino]benzamide.
What is the SMILES notation for 4-(cyclohexanecarbonylamino)-N-[(3-methylcyclohexylidene)amino]benzamide?
The canonical SMILES for 4-(cyclohexanecarbonylamino)-N-[(3-methylcyclohexylidene)amino]benzamide is CC1CCCC(=NNC(=O)c2ccc(NC(=O)C3CCCCC3)cc2)C1.
What is the InChIKey of 4-(cyclohexanecarbonylamino)-N-[(3-methylcyclohexylidene)amino]benzamide?
The InChIKey is ADLABAVKCCQERA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O2/c1-15-6-5-9-19(14-15)23-24-21(26)17-10-12-18(13-11-17)22-20(25)16-7-3-2-4-8-16/h10-13,15-16H,2-9,14H2,1H3,(H,22,25)(H,24,26).
What are the key properties of 4-(cyclohexanecarbonylamino)-N-[(3-methylcyclohexylidene)amino]benzamide?
4-(cyclohexanecarbonylamino)-N-[(3-methylcyclohexylidene)amino]benzamide has a molecular weight of 355.48 g/mol, XLogP of 4.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexanecarbonylamino)-N-[(3-methylcyclohexylidene)amino]benzamide is sourced from PubChem (CID 4510435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).