N-[(4-propan-2-ylphenyl)methylideneamino]-2-prop-2-enoxybenzamide

C20H22N2O2 — CID 4928862

IUPACN-[(4-propan-2-ylphenyl)methylideneamino]-2-prop-2-enoxybenzamide
SMILESC=CCOc1ccccc1C(=O)NN=Cc1ccc(C(C)C)cc1
InChIInChI=1S/C20H22N2O2/c1-4-13-24-19-8-6-5-7-18(19)20(23)22-21-14-16-9-11-17(12-10-16)15(2)3/h4-12,14-15H,1,13H2,2-3H3,(H,22,23)
InChIKeyKCBLLIHYUSJMGN-UHFFFAOYSA-N
MW322.41 g/mol
LogP4.14
Rot. Bonds7

About N-[(4-propan-2-ylphenyl)methylideneamino]-2-prop-2-enoxybenzamide

N-[(4-propan-2-ylphenyl)methylideneamino]-2-prop-2-enoxybenzamide (PubChem CID 4928862) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is N-[(4-propan-2-ylphenyl)methylideneamino]-2-prop-2-enoxybenzamide.

Molecular Properties

Compound NameN-[(4-propan-2-ylphenyl)methylideneamino]-2-prop-2-enoxybenzamide
PubChem CID4928862
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC NameN-[(4-propan-2-ylphenyl)methylideneamino]-2-prop-2-enoxybenzamide
SMILESC=CCOc1ccccc1C(=O)NN=Cc1ccc(C(C)C)cc1
InChIInChI=1S/C20H22N2O2/c1-4-13-24-19-8-6-5-7-18(19)20(23)22-21-14-16-9-11-17(12-10-16)15(2)3/h4-12,14-15H,1,13H2,2-3H3,(H,22,23)
InChIKeyKCBLLIHYUSJMGN-UHFFFAOYSA-N
XLogP4.14
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

N-[(E)-(2-prop-2-enoxyphenyl)methylideneamino]-2-propoxybenzamide
CID 54788819
2-methyl-N-[(E)-(4-prop-2-enoxyphenyl)methylideneamino]benzamide
CID 19061066
N-[(3-methylthiophen-2-yl)methylideneamino]-2-prop-2-enoxybenzamide
CID 4928852
N-[(2,4-dimethylphenyl)methylideneamino]-2-prop-2-enoxybenzamide
CID 4928918
N-[(4-fluorophenyl)methylideneamino]-2-propan-2-yloxybenzamide
CID 5052209
N-[(4-hydroxyphenyl)methylideneamino]-2-phenylmethoxybenzamide
CID 4937790
2-methoxy-N-[(E)-(4-propan-2-yloxyphenyl)methylideneamino]benzamide
CID 110505830
N-[(4-ethoxyphenyl)methylideneamino]-2-propoxybenzamide
CID 4931427
N-[(4-iodophenyl)methylideneamino]-2-[2-[2-[(4-iodophenyl)methylidene]hydrazinyl]-2-oxoethoxy]benzamide
CID 4688701
2,6-dimethyl-3-N,5-N-bis[(4-propan-2-ylphenyl)methylideneamino]pyridine-3,5-dicarboxamide
CID 5111295
2-methoxy-N-[(E)-(4-methoxyphenyl)methylideneamino]benzamide
CID 6861691
N'-(2-propan-2-yloxybenzoyl)-2-prop-2-enoxybenzohydrazide
CID 17045713

Frequently Asked Questions

What is the IUPAC name of N-[(4-propan-2-ylphenyl)methylideneamino]-2-prop-2-enoxybenzamide?
The IUPAC name of N-[(4-propan-2-ylphenyl)methylideneamino]-2-prop-2-enoxybenzamide (CID 4928862) is N-[(4-propan-2-ylphenyl)methylideneamino]-2-prop-2-enoxybenzamide.
What is the SMILES notation for N-[(4-propan-2-ylphenyl)methylideneamino]-2-prop-2-enoxybenzamide?
The canonical SMILES for N-[(4-propan-2-ylphenyl)methylideneamino]-2-prop-2-enoxybenzamide is C=CCOc1ccccc1C(=O)NN=Cc1ccc(C(C)C)cc1.
What is the InChIKey of N-[(4-propan-2-ylphenyl)methylideneamino]-2-prop-2-enoxybenzamide?
The InChIKey is KCBLLIHYUSJMGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-4-13-24-19-8-6-5-7-18(19)20(23)22-21-14-16-9-11-17(12-10-16)15(2)3/h4-12,14-15H,1,13H2,2-3H3,(H,22,23).
What are the key properties of N-[(4-propan-2-ylphenyl)methylideneamino]-2-prop-2-enoxybenzamide?
N-[(4-propan-2-ylphenyl)methylideneamino]-2-prop-2-enoxybenzamide has a molecular weight of 322.41 g/mol, XLogP of 4.14, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-propan-2-ylphenyl)methylideneamino]-2-prop-2-enoxybenzamide is sourced from PubChem (CID 4928862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).