4-methyl-N-[(Z)-[(5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]amino]benzamide

C18H22N2O — CID 5410881

IUPAC4-methyl-N-[(Z)-[(5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]amino]benzamide
SMILESC=C(C)[C@H]1CC=C(C)/C(=N\NC(=O)c2ccc(C)cc2)C1
InChIInChI=1S/C18H22N2O/c1-12(2)16-10-7-14(4)17(11-16)19-20-18(21)15-8-5-13(3)6-9-15/h5-9,16H,1,10-11H2,2-4H3,(H,20,21)/b19-17-/t16-/m0/s1
InChIKeyZOEVVXCTJDPPRV-NCJSADBTSA-N
MW282.39 g/mol
LogP4.01
Rot. Bonds3

About 4-methyl-N-[(Z)-[(5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]amino]benzamide

4-methyl-N-[(Z)-[(5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]amino]benzamide (PubChem CID 5410881) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 4-methyl-N-[(Z)-[(5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]amino]benzamide.

Molecular Properties

Compound Name4-methyl-N-[(Z)-[(5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]amino]benzamide
PubChem CID5410881
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name4-methyl-N-[(Z)-[(5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]amino]benzamide
SMILESC=C(C)[C@H]1CC=C(C)/C(=N\NC(=O)c2ccc(C)cc2)C1
InChIInChI=1S/C18H22N2O/c1-12(2)16-10-7-14(4)17(11-16)19-20-18(21)15-8-5-13(3)6-9-15/h5-9,16H,1,10-11H2,2-4H3,(H,20,21)/b19-17-/t16-/m0/s1
InChIKeyZOEVVXCTJDPPRV-NCJSADBTSA-N
XLogP4.01
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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'}

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Related Compounds

4-hydroxy-N-[(Z)-(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino]benzamide
CID 6510708
N-[(Z)-(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino]benzamide
CID 6141737
3-methyl-N-[(E)-(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino]benzamide
CID 5337572
3-bromo-4-methyl-N-[(Z)-[(5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]amino]benzamide
CID 5432806
4-(butanoylamino)-N-[(E)-[(5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]amino]benzamide
CID 38055725
2-chloro-N-[(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino]benzamide
CID 4208427
2-chloro-N-[[(5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]amino]benzamide
CID 681337
3-bromo-4-methoxy-N-[(E)-(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino]benzamide
CID 6314278
2-methyl-N-[(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino]furan-3-carboxamide
CID 4990217
4-[2-[(5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]hydrazinyl]benzoic acid
CID 8971361
4-[2-[(5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]hydrazinyl]benzoic acid
CID 8971356
2,5-dimethyl-N-[(Z)-[(5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]amino]furan-3-carboxamide
CID 8518721

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(Z)-[(5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]amino]benzamide?
The IUPAC name of 4-methyl-N-[(Z)-[(5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]amino]benzamide (CID 5410881) is 4-methyl-N-[(Z)-[(5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]amino]benzamide.
What is the SMILES notation for 4-methyl-N-[(Z)-[(5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]amino]benzamide?
The canonical SMILES for 4-methyl-N-[(Z)-[(5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]amino]benzamide is C=C(C)[C@H]1CC=C(C)/C(=N\NC(=O)c2ccc(C)cc2)C1.
What is the InChIKey of 4-methyl-N-[(Z)-[(5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]amino]benzamide?
The InChIKey is ZOEVVXCTJDPPRV-NCJSADBTSA-N. The full InChI is InChI=1S/C18H22N2O/c1-12(2)16-10-7-14(4)17(11-16)19-20-18(21)15-8-5-13(3)6-9-15/h5-9,16H,1,10-11H2,2-4H3,(H,20,21)/b19-17-/t16-/m0/s1.
What are the key properties of 4-methyl-N-[(Z)-[(5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]amino]benzamide?
4-methyl-N-[(Z)-[(5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]amino]benzamide has a molecular weight of 282.39 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(Z)-[(5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]amino]benzamide is sourced from PubChem (CID 5410881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).