4-methyl-N-[(2-propoxyphenyl)methylideneamino]benzamide

C18H20N2O2 — CID 5131862

IUPAC4-methyl-N-[(2-propoxyphenyl)methylideneamino]benzamide
SMILESCCCOc1ccccc1C=NNC(=O)c1ccc(C)cc1
InChIInChI=1S/C18H20N2O2/c1-3-12-22-17-7-5-4-6-16(17)13-19-20-18(21)15-10-8-14(2)9-11-15/h4-11,13H,3,12H2,1-2H3,(H,20,21)
InChIKeyXPUOFCFAZPRKME-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.55
Rot. Bonds6

About 4-methyl-N-[(2-propoxyphenyl)methylideneamino]benzamide

4-methyl-N-[(2-propoxyphenyl)methylideneamino]benzamide (PubChem CID 5131862) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 4-methyl-N-[(2-propoxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-methyl-N-[(2-propoxyphenyl)methylideneamino]benzamide
PubChem CID5131862
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name4-methyl-N-[(2-propoxyphenyl)methylideneamino]benzamide
SMILESCCCOc1ccccc1C=NNC(=O)c1ccc(C)cc1
InChIInChI=1S/C18H20N2O2/c1-3-12-22-17-7-5-4-6-16(17)13-19-20-18(21)15-10-8-14(2)9-11-15/h4-11,13H,3,12H2,1-2H3,(H,20,21)
InChIKeyXPUOFCFAZPRKME-UHFFFAOYSA-N
XLogP3.55
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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-hydroxy-N-[(2-propoxyphenyl)methylideneamino]benzamide
CID 4300474
3-ethoxy-N-[(E)-[2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-4-propoxybenzamide
CID 126324746
N-[(2-pentoxyphenyl)methylideneamino]benzamide
CID 5219776
1,3-bis[(E)-(2-propoxyphenyl)methylideneamino]urea
CID 5332460
N-[(E)-(2-butoxyphenyl)methylideneamino]-4-hydroxybenzamide
CID 110338477
N-[(Z)-(2-methylphenyl)methylideneamino]-4-propoxybenzamide
CID 92659049
N-[(2-ethoxyphenyl)methylideneamino]-4-phenylbenzamide
CID 2163591
4-propoxy-N-[(E)-(2-prop-2-ynoxyphenyl)methylideneamino]benzamide
CID 133169686
N-[(E)-[2-(cyanomethoxy)phenyl]methylideneamino]-4-propoxybenzamide
CID 133169392
[2-[(E)-[(3-methoxy-4-propoxybenzoyl)hydrazinylidene]methyl]phenyl] 4-methylbenzenesulfonate
CID 126309576
N-[(2-ethoxyphenyl)methylideneamino]-2-propoxybenzamide
CID 4931430
N-[(Z)-(4-methylphenyl)methylideneamino]-4-propoxybenzamide
CID 92658946

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(2-propoxyphenyl)methylideneamino]benzamide?
The IUPAC name of 4-methyl-N-[(2-propoxyphenyl)methylideneamino]benzamide (CID 5131862) is 4-methyl-N-[(2-propoxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 4-methyl-N-[(2-propoxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 4-methyl-N-[(2-propoxyphenyl)methylideneamino]benzamide is CCCOc1ccccc1C=NNC(=O)c1ccc(C)cc1.
What is the InChIKey of 4-methyl-N-[(2-propoxyphenyl)methylideneamino]benzamide?
The InChIKey is XPUOFCFAZPRKME-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-3-12-22-17-7-5-4-6-16(17)13-19-20-18(21)15-10-8-14(2)9-11-15/h4-11,13H,3,12H2,1-2H3,(H,20,21).
What are the key properties of 4-methyl-N-[(2-propoxyphenyl)methylideneamino]benzamide?
4-methyl-N-[(2-propoxyphenyl)methylideneamino]benzamide has a molecular weight of 296.37 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(2-propoxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 5131862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).