N-[1-(2-hydroxyphenyl)ethylideneamino]-4-(2-methylpropanoylamino)benzamide

C19H21N3O3 — CID 4925144

IUPACN-[1-(2-hydroxyphenyl)ethylideneamino]-4-(2-methylpropanoylamino)benzamide
SMILESCC(=NNC(=O)c1ccc(NC(=O)C(C)C)cc1)c1ccccc1O
InChIInChI=1S/C19H21N3O3/c1-12(2)18(24)20-15-10-8-14(9-11-15)19(25)22-21-13(3)16-6-4-5-7-17(16)23/h4-12,23H,1-3H3,(H,20,24)(H,22,25)
InChIKeyAYBUWGXVPWMZEX-UHFFFAOYSA-N
MW339.40 g/mol
LogP3.14
Rot. Bonds5

About N-[1-(2-hydroxyphenyl)ethylideneamino]-4-(2-methylpropanoylamino)benzamide

N-[1-(2-hydroxyphenyl)ethylideneamino]-4-(2-methylpropanoylamino)benzamide (PubChem CID 4925144) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is N-[1-(2-hydroxyphenyl)ethylideneamino]-4-(2-methylpropanoylamino)benzamide.

Molecular Properties

Compound NameN-[1-(2-hydroxyphenyl)ethylideneamino]-4-(2-methylpropanoylamino)benzamide
PubChem CID4925144
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC NameN-[1-(2-hydroxyphenyl)ethylideneamino]-4-(2-methylpropanoylamino)benzamide
SMILESCC(=NNC(=O)c1ccc(NC(=O)C(C)C)cc1)c1ccccc1O
InChIInChI=1S/C19H21N3O3/c1-12(2)18(24)20-15-10-8-14(9-11-15)19(25)22-21-13(3)16-6-4-5-7-17(16)23/h4-12,23H,1-3H3,(H,20,24)(H,22,25)
InChIKeyAYBUWGXVPWMZEX-UHFFFAOYSA-N
XLogP3.14
TPSA90.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 53.14
H-Bond Donors ≤ 53
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-bromo-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]benzamide
CID 135643111
4-tert-butyl-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]benzamide
CID 135445579
2-hydroxy-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]benzamide
CID 135472588
N-[(Z)-(2-hydroxyphenyl)methylideneamino]-4-(2-methylpropanoylamino)benzamide
CID 137095702
1-N,3-N-bis[(E)-1-(2-hydroxyphenyl)ethylideneamino]benzene-1,3-dicarboxamide
CID 135656933
4-(2-methylpropanoylamino)-N-[1-(3-nitrophenyl)ethylideneamino]benzamide
CID 4925093
N-(benzylideneamino)-4-(2-methylpropanoylamino)benzamide
CID 4924958
1-N,4-N-bis[4-(2-methylpropanoylamino)phenyl]benzene-1,4-dicarboxamide
CID 17188207
N-[(Z)-ethylideneamino]-4-(2-methylpropanoylamino)benzamide
CID 71207836
2-N,5-N-bis[(Z)-1-(2-hydroxyphenyl)ethylideneamino]pyridine-2,5-dicarboxamide
CID 135699182
N-[(E)-heptan-2-ylideneamino]-4-(2-methylpropanoylamino)benzamide
CID 54784755
(2S)-N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]-2-[(2S)-1-[(2Z)-2-[1-(2-hydroxyphenyl)ethylidene]hydrazinyl]-1-oxopropan-2-yl]sulfanylpropanamide
CID 136759335

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-hydroxyphenyl)ethylideneamino]-4-(2-methylpropanoylamino)benzamide?
The IUPAC name of N-[1-(2-hydroxyphenyl)ethylideneamino]-4-(2-methylpropanoylamino)benzamide (CID 4925144) is N-[1-(2-hydroxyphenyl)ethylideneamino]-4-(2-methylpropanoylamino)benzamide.
What is the SMILES notation for N-[1-(2-hydroxyphenyl)ethylideneamino]-4-(2-methylpropanoylamino)benzamide?
The canonical SMILES for N-[1-(2-hydroxyphenyl)ethylideneamino]-4-(2-methylpropanoylamino)benzamide is CC(=NNC(=O)c1ccc(NC(=O)C(C)C)cc1)c1ccccc1O.
What is the InChIKey of N-[1-(2-hydroxyphenyl)ethylideneamino]-4-(2-methylpropanoylamino)benzamide?
The InChIKey is AYBUWGXVPWMZEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-12(2)18(24)20-15-10-8-14(9-11-15)19(25)22-21-13(3)16-6-4-5-7-17(16)23/h4-12,23H,1-3H3,(H,20,24)(H,22,25).
What are the key properties of N-[1-(2-hydroxyphenyl)ethylideneamino]-4-(2-methylpropanoylamino)benzamide?
N-[1-(2-hydroxyphenyl)ethylideneamino]-4-(2-methylpropanoylamino)benzamide has a molecular weight of 339.40 g/mol, XLogP of 3.14, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-hydroxyphenyl)ethylideneamino]-4-(2-methylpropanoylamino)benzamide is sourced from PubChem (CID 4925144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).