2-methyl-N-[(E)-(4-propan-2-yloxyphenyl)methylideneamino]benzamide

C18H20N2O2 — CID 19061065

IUPAC2-methyl-N-[(E)-(4-propan-2-yloxyphenyl)methylideneamino]benzamide
SMILESCc1ccccc1C(=O)N/N=C/c1ccc(OC(C)C)cc1
InChIInChI=1S/C18H20N2O2/c1-13(2)22-16-10-8-15(9-11-16)12-19-20-18(21)17-7-5-4-6-14(17)3/h4-13H,1-3H3,(H,20,21)/b19-12+
InChIKeyRTDLZUDHLZJHRD-XDHOZWIPSA-N
MW296.37 g/mol
LogP3.55
Rot. Bonds5

About 2-methyl-N-[(E)-(4-propan-2-yloxyphenyl)methylideneamino]benzamide

2-methyl-N-[(E)-(4-propan-2-yloxyphenyl)methylideneamino]benzamide (PubChem CID 19061065) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 2-methyl-N-[(E)-(4-propan-2-yloxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name2-methyl-N-[(E)-(4-propan-2-yloxyphenyl)methylideneamino]benzamide
PubChem CID19061065
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name2-methyl-N-[(E)-(4-propan-2-yloxyphenyl)methylideneamino]benzamide
SMILESCc1ccccc1C(=O)N/N=C/c1ccc(OC(C)C)cc1
InChIInChI=1S/C18H20N2O2/c1-13(2)22-16-10-8-15(9-11-16)12-19-20-18(21)17-7-5-4-6-14(17)3/h4-13H,1-3H3,(H,20,21)/b19-12+
InChIKeyRTDLZUDHLZJHRD-XDHOZWIPSA-N
XLogP3.55
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-N-[(E)-(4-propan-2-yloxyphenyl)methylideneamino]benzamide
CID 110505830
2-methyl-N-[(Z)-(4-methylphenyl)methylideneamino]benzamide
CID 5405615
2-methyl-N-[(E)-(4-prop-2-enoxyphenyl)methylideneamino]benzamide
CID 19061066
2-methyl-N-[(4-phenylmethoxyphenyl)methylideneamino]benzamide
CID 916420
[4-[(Z)-[(2-methylbenzoyl)hydrazinylidene]methyl]phenyl] 2-chlorobenzoate
CID 6109937
N-(2,6-dimethylphenyl)-N'-[(Z)-(4-propan-2-yloxyphenyl)methylideneamino]oxamide
CID 8899674
4-methyl-N-[(Z)-(4-propan-2-yloxyphenyl)methylideneamino]benzamide
CID 110509123
[4-[[(2-methylbenzoyl)hydrazinylidene]methyl]phenyl] 4-methoxybenzoate
CID 75087863
N-[(4-fluorophenyl)methylideneamino]-2-propan-2-yloxybenzamide
CID 5052209
N-(2,3-dimethylphenyl)-N'-[(Z)-(4-propan-2-yloxyphenyl)methylideneamino]oxamide
CID 8899667
4-hydroxy-N-[(Z)-(4-propan-2-yloxyphenyl)methylideneamino]benzamide
CID 112537987
N-[(Z)-(4-methoxyphenyl)methylideneamino]-4-propan-2-yloxybenzamide
CID 9215527

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(E)-(4-propan-2-yloxyphenyl)methylideneamino]benzamide?
The IUPAC name of 2-methyl-N-[(E)-(4-propan-2-yloxyphenyl)methylideneamino]benzamide (CID 19061065) is 2-methyl-N-[(E)-(4-propan-2-yloxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 2-methyl-N-[(E)-(4-propan-2-yloxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 2-methyl-N-[(E)-(4-propan-2-yloxyphenyl)methylideneamino]benzamide is Cc1ccccc1C(=O)N/N=C/c1ccc(OC(C)C)cc1.
What is the InChIKey of 2-methyl-N-[(E)-(4-propan-2-yloxyphenyl)methylideneamino]benzamide?
The InChIKey is RTDLZUDHLZJHRD-XDHOZWIPSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-13(2)22-16-10-8-15(9-11-16)12-19-20-18(21)17-7-5-4-6-14(17)3/h4-13H,1-3H3,(H,20,21)/b19-12+.
What are the key properties of 2-methyl-N-[(E)-(4-propan-2-yloxyphenyl)methylideneamino]benzamide?
2-methyl-N-[(E)-(4-propan-2-yloxyphenyl)methylideneamino]benzamide has a molecular weight of 296.37 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 2-methyl-N-[(E)-(4-propan-2-yloxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 19061065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).