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

C18H20N2O3 — CID 110505830

IUPAC2-methoxy-N-[(E)-(4-propan-2-yloxyphenyl)methylideneamino]benzamide
SMILESCOc1ccccc1C(=O)N/N=C/c1ccc(OC(C)C)cc1
InChIInChI=1S/C18H20N2O3/c1-13(2)23-15-10-8-14(9-11-15)12-19-20-18(21)16-6-4-5-7-17(16)22-3/h4-13H,1-3H3,(H,20,21)/b19-12+
InChIKeyFDIPZXOZKJCTOE-XDHOZWIPSA-N
MW312.37 g/mol
LogP3.25
Rot. Bonds6

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

2-methoxy-N-[(E)-(4-propan-2-yloxyphenyl)methylideneamino]benzamide (PubChem CID 110505830) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is 2-methoxy-N-[(E)-(4-propan-2-yloxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[(E)-(4-propan-2-yloxyphenyl)methylideneamino]benzamide
PubChem CID110505830
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name2-methoxy-N-[(E)-(4-propan-2-yloxyphenyl)methylideneamino]benzamide
SMILESCOc1ccccc1C(=O)N/N=C/c1ccc(OC(C)C)cc1
InChIInChI=1S/C18H20N2O3/c1-13(2)23-15-10-8-14(9-11-15)12-19-20-18(21)16-6-4-5-7-17(16)22-3/h4-13H,1-3H3,(H,20,21)/b19-12+
InChIKeyFDIPZXOZKJCTOE-XDHOZWIPSA-N
XLogP3.25
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-methoxyphenyl)methylideneamino]benzamide
CID 6861691
2-methyl-N-[(E)-(4-propan-2-yloxyphenyl)methylideneamino]benzamide
CID 19061065
propan-2-yl 2-[4-[(Z)-[(2-methoxybenzoyl)hydrazinylidene]methyl]phenoxy]acetate
CID 6148234
N-[(4-fluorophenyl)methylideneamino]-2-propan-2-yloxybenzamide
CID 5052209
methyl 4-[[(2-methoxybenzoyl)hydrazinylidene]methyl]benzoate
CID 3669406
N-[(Z)-(4-methoxyphenyl)methylideneamino]-4-propan-2-yloxybenzamide
CID 9215527
2-methoxy-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]benzamide
CID 6068795
4-methyl-N-[(Z)-(4-propan-2-yloxyphenyl)methylideneamino]benzamide
CID 110509123
2-chloro-N-[(Z)-(4-methoxy-3-propan-2-yloxyphenyl)methylideneamino]benzamide
CID 110509304
N-[(Z)-(2-methoxyphenyl)methylideneamino]-4-propan-2-yloxybenzamide
CID 9215609
N-[(Z)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-methoxybenzamide
CID 5437477
4-hydroxy-N-[(Z)-(4-propan-2-yloxyphenyl)methylideneamino]benzamide
CID 112537987

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(E)-(4-propan-2-yloxyphenyl)methylideneamino]benzamide?
The IUPAC name of 2-methoxy-N-[(E)-(4-propan-2-yloxyphenyl)methylideneamino]benzamide (CID 110505830) is 2-methoxy-N-[(E)-(4-propan-2-yloxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 2-methoxy-N-[(E)-(4-propan-2-yloxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 2-methoxy-N-[(E)-(4-propan-2-yloxyphenyl)methylideneamino]benzamide is COc1ccccc1C(=O)N/N=C/c1ccc(OC(C)C)cc1.
What is the InChIKey of 2-methoxy-N-[(E)-(4-propan-2-yloxyphenyl)methylideneamino]benzamide?
The InChIKey is FDIPZXOZKJCTOE-XDHOZWIPSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-13(2)23-15-10-8-14(9-11-15)12-19-20-18(21)16-6-4-5-7-17(16)22-3/h4-13H,1-3H3,(H,20,21)/b19-12+.
What are the key properties of 2-methoxy-N-[(E)-(4-propan-2-yloxyphenyl)methylideneamino]benzamide?
2-methoxy-N-[(E)-(4-propan-2-yloxyphenyl)methylideneamino]benzamide has a molecular weight of 312.37 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(E)-(4-propan-2-yloxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 110505830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).