N-[(2-methyl-1-phenylpropylidene)amino]-4-prop-2-enoxybenzamide

C20H22N2O2 — CID 4982210

IUPACN-[(2-methyl-1-phenylpropylidene)amino]-4-prop-2-enoxybenzamide
SMILESC=CCOc1ccc(C(=O)NN=C(c2ccccc2)C(C)C)cc1
InChIInChI=1S/C20H22N2O2/c1-4-14-24-18-12-10-17(11-13-18)20(23)22-21-19(15(2)3)16-8-6-5-7-9-16/h4-13,15H,1,14H2,2-3H3,(H,22,23)
InChIKeyDWRNBKRDOZVYQS-UHFFFAOYSA-N
MW322.41 g/mol
LogP4.04
Rot. Bonds7

About N-[(2-methyl-1-phenylpropylidene)amino]-4-prop-2-enoxybenzamide

N-[(2-methyl-1-phenylpropylidene)amino]-4-prop-2-enoxybenzamide (PubChem CID 4982210) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is N-[(2-methyl-1-phenylpropylidene)amino]-4-prop-2-enoxybenzamide.

Molecular Properties

Compound NameN-[(2-methyl-1-phenylpropylidene)amino]-4-prop-2-enoxybenzamide
PubChem CID4982210
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC NameN-[(2-methyl-1-phenylpropylidene)amino]-4-prop-2-enoxybenzamide
SMILESC=CCOc1ccc(C(=O)NN=C(c2ccccc2)C(C)C)cc1
InChIInChI=1S/C20H22N2O2/c1-4-14-24-18-12-10-17(11-13-18)20(23)22-21-19(15(2)3)16-8-6-5-7-9-16/h4-13,15H,1,14H2,2-3H3,(H,22,23)
InChIKeyDWRNBKRDOZVYQS-UHFFFAOYSA-N
XLogP4.04
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 ≤ 54.04
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)-1-phenylethylideneamino]-4-prop-2-enoxybenzamide
CID 6232405
N-[(Z)-(4-anilino-4-oxobutan-2-ylidene)amino]-4-prop-2-enoxybenzamide
CID 6380482
N-(benzylideneamino)-4-prop-2-enoxybenzamide
CID 4925725
N-[1-(4-methoxyphenyl)ethylideneamino]-4-prop-2-enoxybenzamide
CID 4925777
N-[1-(4-hydroxyphenyl)ethylideneamino]-4-prop-2-enoxybenzamide
CID 4925771
4-acetamido-N-[(E)-(2-methyl-1-phenylpropylidene)amino]benzamide
CID 5417702
4-(dimethylamino)-N-[(2-methyl-1-phenylpropylidene)amino]benzamide
CID 3512909
N-[1-(4-aminophenyl)ethylideneamino]-4-prop-2-enoxybenzamide
CID 4925774
4-(2-methylpropoxy)-N-(1-phenylethylideneamino)benzamide
CID 4929975
N-[(2-methyl-1-phenylpropylidene)amino]pyridine-4-carboxamide
CID 904362
N-(2-phenylethylideneamino)-4-prop-2-enoxybenzamide
CID 4925727
N-(1-cyclopropylethylideneamino)-4-prop-2-enoxybenzamide
CID 4925730

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-1-phenylpropylidene)amino]-4-prop-2-enoxybenzamide?
The IUPAC name of N-[(2-methyl-1-phenylpropylidene)amino]-4-prop-2-enoxybenzamide (CID 4982210) is N-[(2-methyl-1-phenylpropylidene)amino]-4-prop-2-enoxybenzamide.
What is the SMILES notation for N-[(2-methyl-1-phenylpropylidene)amino]-4-prop-2-enoxybenzamide?
The canonical SMILES for N-[(2-methyl-1-phenylpropylidene)amino]-4-prop-2-enoxybenzamide is C=CCOc1ccc(C(=O)NN=C(c2ccccc2)C(C)C)cc1.
What is the InChIKey of N-[(2-methyl-1-phenylpropylidene)amino]-4-prop-2-enoxybenzamide?
The InChIKey is DWRNBKRDOZVYQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-4-14-24-18-12-10-17(11-13-18)20(23)22-21-19(15(2)3)16-8-6-5-7-9-16/h4-13,15H,1,14H2,2-3H3,(H,22,23).
What are the key properties of N-[(2-methyl-1-phenylpropylidene)amino]-4-prop-2-enoxybenzamide?
N-[(2-methyl-1-phenylpropylidene)amino]-4-prop-2-enoxybenzamide has a molecular weight of 322.41 g/mol, XLogP of 4.04, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-1-phenylpropylidene)amino]-4-prop-2-enoxybenzamide is sourced from PubChem (CID 4982210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).