4-methyl-N-[(Z)-(3-propan-2-yloxyphenyl)methylideneamino]benzamide

C18H20N2O2 — CID 110509128

IUPAC4-methyl-N-[(Z)-(3-propan-2-yloxyphenyl)methylideneamino]benzamide
SMILESCc1ccc(C(=O)N/N=C\c2cccc(OC(C)C)c2)cc1
InChIInChI=1S/C18H20N2O2/c1-13(2)22-17-6-4-5-15(11-17)12-19-20-18(21)16-9-7-14(3)8-10-16/h4-13H,1-3H3,(H,20,21)/b19-12-
InChIKeyHRGSSDWSXARUQJ-UNOMPAQXSA-N
MW296.37 g/mol
LogP3.55
Rot. Bonds5

About 4-methyl-N-[(Z)-(3-propan-2-yloxyphenyl)methylideneamino]benzamide

4-methyl-N-[(Z)-(3-propan-2-yloxyphenyl)methylideneamino]benzamide (PubChem CID 110509128) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 4-methyl-N-[(Z)-(3-propan-2-yloxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-methyl-N-[(Z)-(3-propan-2-yloxyphenyl)methylideneamino]benzamide
PubChem CID110509128
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name4-methyl-N-[(Z)-(3-propan-2-yloxyphenyl)methylideneamino]benzamide
SMILESCc1ccc(C(=O)N/N=C\c2cccc(OC(C)C)c2)cc1
InChIInChI=1S/C18H20N2O2/c1-13(2)22-17-6-4-5-15(11-17)12-19-20-18(21)16-9-7-14(3)8-10-16/h4-13H,1-3H3,(H,20,21)/b19-12-
InChIKeyHRGSSDWSXARUQJ-UNOMPAQXSA-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

4-methyl-N-[(Z)-(4-propan-2-yloxyphenyl)methylideneamino]benzamide
CID 110509123
[3-[[(4-methoxybenzoyl)hydrazinylidene]methyl]phenyl] 4-methylbenzoate
CID 1001770
4-methyl-N-[(E)-(3-propan-2-yloxyphenyl)methylideneamino]aniline
CID 110505475
N-[(3-nitrophenyl)methylideneamino]-4-propan-2-yloxybenzamide
CID 947524
N-[(Z)-(3,5-dimethoxyphenyl)methylideneamino]-4-propan-2-yloxybenzamide
CID 9215270
2-(2,4-dimethylphenyl)-N-[(Z)-(3-propan-2-yloxyphenyl)methylideneamino]acetamide
CID 92657857
N-[[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-4-methylbenzamide
CID 4081735
4-methyl-N-(3-propan-2-yloxyphenyl)benzamide
CID 2989293
4-hydroxy-N-[(E)-(3-methoxyphenyl)methylideneamino]benzamide
CID 139088138
4-methoxy-N-[(3-methylphenyl)methylideneamino]benzamide
CID 913508
N-[(E)-[3-(2-anilino-2-oxoethoxy)phenyl]methylideneamino]-4-methylbenzamide
CID 126256143
N-[(E)-(3-propan-2-yloxyphenyl)methylideneamino]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 110340836

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(Z)-(3-propan-2-yloxyphenyl)methylideneamino]benzamide?
The IUPAC name of 4-methyl-N-[(Z)-(3-propan-2-yloxyphenyl)methylideneamino]benzamide (CID 110509128) is 4-methyl-N-[(Z)-(3-propan-2-yloxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 4-methyl-N-[(Z)-(3-propan-2-yloxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 4-methyl-N-[(Z)-(3-propan-2-yloxyphenyl)methylideneamino]benzamide is Cc1ccc(C(=O)N/N=C\c2cccc(OC(C)C)c2)cc1.
What is the InChIKey of 4-methyl-N-[(Z)-(3-propan-2-yloxyphenyl)methylideneamino]benzamide?
The InChIKey is HRGSSDWSXARUQJ-UNOMPAQXSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-13(2)22-17-6-4-5-15(11-17)12-19-20-18(21)16-9-7-14(3)8-10-16/h4-13H,1-3H3,(H,20,21)/b19-12-.
What are the key properties of 4-methyl-N-[(Z)-(3-propan-2-yloxyphenyl)methylideneamino]benzamide?
4-methyl-N-[(Z)-(3-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 4-methyl-N-[(Z)-(3-propan-2-yloxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 110509128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).