N-[(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]-4-propoxybenzamide

C19H22N2O3 — CID 137268526

IUPACN-[(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)N/N=C(\C)c2cc(C)ccc2O)cc1
InChIInChI=1S/C19H22N2O3/c1-4-11-24-16-8-6-15(7-9-16)19(23)21-20-14(3)17-12-13(2)5-10-18(17)22/h5-10,12,22H,4,11H2,1-3H3,(H,21,23)/b20-14+
InChIKeyHMXQPGQGKZSHKG-XSFVSMFZSA-N
MW326.40 g/mol
LogP3.64
Rot. Bonds6

About N-[(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]-4-propoxybenzamide

N-[(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]-4-propoxybenzamide (PubChem CID 137268526) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-[(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]-4-propoxybenzamide.

Molecular Properties

Compound NameN-[(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]-4-propoxybenzamide
PubChem CID137268526
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC NameN-[(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)N/N=C(\C)c2cc(C)ccc2O)cc1
InChIInChI=1S/C19H22N2O3/c1-4-11-24-16-8-6-15(7-9-16)19(23)21-20-14(3)17-12-13(2)5-10-18(17)22/h5-10,12,22H,4,11H2,1-3H3,(H,21,23)/b20-14+
InChIKeyHMXQPGQGKZSHKG-XSFVSMFZSA-N
XLogP3.64
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-ethoxy-N-[(E)-1-(2-hydroxy-5-methylphenyl)propylideneamino]benzamide
CID 135577280
N-[(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]pyridine-4-carboxamide
CID 135614486
N-[(E)-1-(4-chlorophenyl)ethylideneamino]-4-propoxybenzamide
CID 133169613
N-[(Z)-1-(4-bromophenyl)ethylideneamino]-4-propoxybenzamide
CID 99945469
N-[(E)-1-(3,4-dichlorophenyl)ethylideneamino]-4-propoxybenzamide
CID 133169925
2-(4-ethylphenoxy)-N-[(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]acetamide
CID 135575983
N-[(E)-1-(4-cyanophenyl)ethylideneamino]-4-propoxybenzamide
CID 133169937
4-propoxy-N-[(E)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylideneamino]benzamide
CID 133169944
methyl N-[(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]carbamate
CID 135730431
5-bromo-2-hydroxy-N-[(Z)-1-(4-nonoxyphenyl)ethylideneamino]benzamide
CID 5340622
4-chloro-N-[1-(2-hydroxy-5-methoxyphenyl)ethylideneamino]benzamide
CID 137156329
N-[1-(2-hydroxyphenyl)ethylideneamino]-4-phenylmethoxybenzamide
CID 4933076

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]-4-propoxybenzamide?
The IUPAC name of N-[(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]-4-propoxybenzamide (CID 137268526) is N-[(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]-4-propoxybenzamide.
What is the SMILES notation for N-[(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]-4-propoxybenzamide?
The canonical SMILES for N-[(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]-4-propoxybenzamide is CCCOc1ccc(C(=O)N/N=C(\C)c2cc(C)ccc2O)cc1.
What is the InChIKey of N-[(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]-4-propoxybenzamide?
The InChIKey is HMXQPGQGKZSHKG-XSFVSMFZSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-4-11-24-16-8-6-15(7-9-16)19(23)21-20-14(3)17-12-13(2)5-10-18(17)22/h5-10,12,22H,4,11H2,1-3H3,(H,21,23)/b20-14+.
What are the key properties of N-[(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]-4-propoxybenzamide?
N-[(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]-4-propoxybenzamide has a molecular weight of 326.40 g/mol, XLogP of 3.64, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]-4-propoxybenzamide is sourced from PubChem (CID 137268526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).