N-[(Z)-(2-hydroxyphenyl)methylideneamino]-4-(2-methylpropanoylamino)benzamide

C18H19N3O3 — CID 137095702

IUPACN-[(Z)-(2-hydroxyphenyl)methylideneamino]-4-(2-methylpropanoylamino)benzamide
SMILESCC(C)C(=O)Nc1ccc(C(=O)N/N=C\c2ccccc2O)cc1
InChIInChI=1S/C18H19N3O3/c1-12(2)17(23)20-15-9-7-13(8-10-15)18(24)21-19-11-14-5-3-4-6-16(14)22/h3-12,22H,1-2H3,(H,20,23)(H,21,24)/b19-11-
InChIKeySVYWBQRMHDZOGL-ODLFYWEKSA-N
MW325.37 g/mol
LogP2.75
Rot. Bonds5

About N-[(Z)-(2-hydroxyphenyl)methylideneamino]-4-(2-methylpropanoylamino)benzamide

N-[(Z)-(2-hydroxyphenyl)methylideneamino]-4-(2-methylpropanoylamino)benzamide (PubChem CID 137095702) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is N-[(Z)-(2-hydroxyphenyl)methylideneamino]-4-(2-methylpropanoylamino)benzamide.

Molecular Properties

Compound NameN-[(Z)-(2-hydroxyphenyl)methylideneamino]-4-(2-methylpropanoylamino)benzamide
PubChem CID137095702
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC NameN-[(Z)-(2-hydroxyphenyl)methylideneamino]-4-(2-methylpropanoylamino)benzamide
SMILESCC(C)C(=O)Nc1ccc(C(=O)N/N=C\c2ccccc2O)cc1
InChIInChI=1S/C18H19N3O3/c1-12(2)17(23)20-15-9-7-13(8-10-15)18(24)21-19-11-14-5-3-4-6-16(14)22/h3-12,22H,1-2H3,(H,20,23)(H,21,24)/b19-11-
InChIKeySVYWBQRMHDZOGL-ODLFYWEKSA-N
XLogP2.75
TPSA90.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.75
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

N-(benzylideneamino)-4-(2-methylpropanoylamino)benzamide
CID 4924958
N-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-4-(2-methylpropanoylamino)benzamide
CID 135460589
N-[(Z)-ethylideneamino]-4-(2-methylpropanoylamino)benzamide
CID 71207836
N-[(2-hydroxyphenyl)methylideneamino]-4-phenylbenzamide
CID 827697
N-(furan-2-ylmethylideneamino)-4-(2-methylpropanoylamino)benzamide
CID 4924959
[4-[[(2-hydroxyphenyl)methylideneamino]carbamoyl]phenyl]-dimethylazanium
CID 146938303
N-[(2-hydroxyphenyl)methylideneamino]-4-methoxybenzamide
CID 584655
N-[1-(2-hydroxyphenyl)ethylideneamino]-4-(2-methylpropanoylamino)benzamide
CID 4925144
N-[(Z)-(2-hydroxyphenyl)methylideneamino]-4-[4-[[(Z)-(2-hydroxyphenyl)methylideneamino]carbamoyl]phenyl]sulfonylbenzamide
CID 135489914
4-(cyclohexanecarbonylamino)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]benzamide
CID 136887197
4-(2-methylpropanoylamino)-N-(thiophen-3-ylmethylideneamino)benzamide
CID 4980551
(2S)-2-hydroxy-N-[(E)-(2-hydroxyphenyl)methylideneamino]propanamide
CID 135688184

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2-hydroxyphenyl)methylideneamino]-4-(2-methylpropanoylamino)benzamide?
The IUPAC name of N-[(Z)-(2-hydroxyphenyl)methylideneamino]-4-(2-methylpropanoylamino)benzamide (CID 137095702) is N-[(Z)-(2-hydroxyphenyl)methylideneamino]-4-(2-methylpropanoylamino)benzamide.
What is the SMILES notation for N-[(Z)-(2-hydroxyphenyl)methylideneamino]-4-(2-methylpropanoylamino)benzamide?
The canonical SMILES for N-[(Z)-(2-hydroxyphenyl)methylideneamino]-4-(2-methylpropanoylamino)benzamide is CC(C)C(=O)Nc1ccc(C(=O)N/N=C\c2ccccc2O)cc1.
What is the InChIKey of N-[(Z)-(2-hydroxyphenyl)methylideneamino]-4-(2-methylpropanoylamino)benzamide?
The InChIKey is SVYWBQRMHDZOGL-ODLFYWEKSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-12(2)17(23)20-15-9-7-13(8-10-15)18(24)21-19-11-14-5-3-4-6-16(14)22/h3-12,22H,1-2H3,(H,20,23)(H,21,24)/b19-11-.
What are the key properties of N-[(Z)-(2-hydroxyphenyl)methylideneamino]-4-(2-methylpropanoylamino)benzamide?
N-[(Z)-(2-hydroxyphenyl)methylideneamino]-4-(2-methylpropanoylamino)benzamide has a molecular weight of 325.37 g/mol, XLogP of 2.75, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2-hydroxyphenyl)methylideneamino]-4-(2-methylpropanoylamino)benzamide is sourced from PubChem (CID 137095702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).