N-(1-cyclopropylethylideneamino)-4-prop-2-enoxybenzamide

C15H18N2O2 — CID 4925730

IUPACN-(1-cyclopropylethylideneamino)-4-prop-2-enoxybenzamide
SMILESC=CCOc1ccc(C(=O)NN=C(C)C2CC2)cc1
InChIInChI=1S/C15H18N2O2/c1-3-10-19-14-8-6-13(7-9-14)15(18)17-16-11(2)12-4-5-12/h3,6-9,12H,1,4-5,10H2,2H3,(H,17,18)
InChIKeyJMWGWVZMKUFFNZ-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.77
Rot. Bonds6

About N-(1-cyclopropylethylideneamino)-4-prop-2-enoxybenzamide

N-(1-cyclopropylethylideneamino)-4-prop-2-enoxybenzamide (PubChem CID 4925730) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is N-(1-cyclopropylethylideneamino)-4-prop-2-enoxybenzamide.

Molecular Properties

Compound NameN-(1-cyclopropylethylideneamino)-4-prop-2-enoxybenzamide
PubChem CID4925730
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC NameN-(1-cyclopropylethylideneamino)-4-prop-2-enoxybenzamide
SMILESC=CCOc1ccc(C(=O)NN=C(C)C2CC2)cc1
InChIInChI=1S/C15H18N2O2/c1-3-10-19-14-8-6-13(7-9-14)15(18)17-16-11(2)12-4-5-12/h3,6-9,12H,1,4-5,10H2,2H3,(H,17,18)
InChIKeyJMWGWVZMKUFFNZ-UHFFFAOYSA-N
XLogP2.77
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.77
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-[1-(4-methoxyphenyl)ethylideneamino]-4-prop-2-enoxybenzamide
CID 4925777
N-[1-(4-hydroxyphenyl)ethylideneamino]-4-prop-2-enoxybenzamide
CID 4925771
N-[1-(4-aminophenyl)ethylideneamino]-4-prop-2-enoxybenzamide
CID 4925774
N-[(E)-heptan-2-ylideneamino]-4-prop-2-enoxybenzamide
CID 54784631
4-chloro-N-[(Z)-1-cyclopropylethylideneamino]benzamide
CID 5398069
N-[1-(4-nitrophenyl)ethylideneamino]-4-prop-2-enoxybenzamide
CID 4925773
N-[(2-methyl-1-phenylpropylidene)amino]-4-prop-2-enoxybenzamide
CID 4982210
N-[(Z)-(4-anilino-4-oxobutan-2-ylidene)amino]-4-prop-2-enoxybenzamide
CID 6380482
N-[(3-methylcyclohexylidene)amino]-4-prop-2-enoxybenzamide
CID 4925778
4-prop-2-enoxy-N-[[4-[[(4-prop-2-enoxybenzoyl)hydrazinylidene]methyl]phenyl]methylideneamino]benzamide
CID 4926312
N-(cyclohexylmethyl)-4-prop-2-enoxybenzamide
CID 55570164

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylethylideneamino)-4-prop-2-enoxybenzamide?
The IUPAC name of N-(1-cyclopropylethylideneamino)-4-prop-2-enoxybenzamide (CID 4925730) is N-(1-cyclopropylethylideneamino)-4-prop-2-enoxybenzamide.
What is the SMILES notation for N-(1-cyclopropylethylideneamino)-4-prop-2-enoxybenzamide?
The canonical SMILES for N-(1-cyclopropylethylideneamino)-4-prop-2-enoxybenzamide is C=CCOc1ccc(C(=O)NN=C(C)C2CC2)cc1.
What is the InChIKey of N-(1-cyclopropylethylideneamino)-4-prop-2-enoxybenzamide?
The InChIKey is JMWGWVZMKUFFNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-3-10-19-14-8-6-13(7-9-14)15(18)17-16-11(2)12-4-5-12/h3,6-9,12H,1,4-5,10H2,2H3,(H,17,18).
What are the key properties of N-(1-cyclopropylethylideneamino)-4-prop-2-enoxybenzamide?
N-(1-cyclopropylethylideneamino)-4-prop-2-enoxybenzamide has a molecular weight of 258.32 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylethylideneamino)-4-prop-2-enoxybenzamide is sourced from PubChem (CID 4925730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).