N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-4-(1-methylcyclopropyl)benzamide

C18H17N2O3+ — CID 137037301

IUPACN-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-4-(1-methylcyclopropyl)benzamide
SMILESCC1(c2ccc(C(=O)N/N=C\c3ccc(O)cc3O)cc2)[CH+]C1
InChIInChI=1S/C18H16N2O3/c1-18(8-9-18)14-5-2-12(3-6-14)17(23)20-19-11-13-4-7-15(21)10-16(13)22/h2-8,10-11H,9H2,1H3,(H2-,19,20,21,22,23)/p+1
InChIKeyOZFBYTPBTGYYOA-UHFFFAOYSA-O
MW309.35 g/mol
LogP2.73
Rot. Bonds4

About N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-4-(1-methylcyclopropyl)benzamide

N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-4-(1-methylcyclopropyl)benzamide (PubChem CID 137037301) has the molecular formula C18H17N2O3+ and a molecular weight of 309.35 g/mol. Its IUPAC name is N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-4-(1-methylcyclopropyl)benzamide.

Molecular Properties

Compound NameN-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-4-(1-methylcyclopropyl)benzamide
PubChem CID137037301
Molecular FormulaC18H17N2O3+
Molecular Weight309.35 g/mol
Exact Mass309.12
IUPAC NameN-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-4-(1-methylcyclopropyl)benzamide
SMILESCC1(c2ccc(C(=O)N/N=C\c3ccc(O)cc3O)cc2)[CH+]C1
InChIInChI=1S/C18H16N2O3/c1-18(8-9-18)14-5-2-12(3-6-14)17(23)20-19-11-13-4-7-15(21)10-16(13)22/h2-8,10-11H,9H2,1H3,(H2-,19,20,21,22,23)/p+1
InChIKeyOZFBYTPBTGYYOA-UHFFFAOYSA-O
XLogP2.73
TPSA81.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.35
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', '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-acetamido-N-[(2,4-dihydroxyphenyl)methylideneamino]benzamide
CID 689755
N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-4-methylbenzamide
CID 135628281
N-[4-[[(Z)-(2,4-dihydroxyphenyl)methylideneamino]carbamoyl]phenyl]-4-methylbenzamide
CID 136863468
N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-4-methoxybenzamide
CID 136778476
N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-4-ethylbenzamide
CID 135673755
2-chloro-N-[4-[[(Z)-(2,4-dihydroxyphenyl)methylideneamino]carbamoyl]phenyl]benzamide
CID 136890963
N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]quinoline-6-carboxamide
CID 155558267
N,N'-bis[(E)-(2,4-dihydroxyphenyl)methylideneamino]oxamide
CID 135576680
2,4-dichloro-N-[4-[[(Z)-(2,4-dihydroxyphenyl)methylideneamino]carbamoyl]phenyl]benzamide
CID 137173612
N-[(2,4-dihydroxyphenyl)methylideneamino]-3-methyl-4-nitrobenzamide
CID 155679940
N,N'-bis[(E)-(2,4-dihydroxyphenyl)methylideneamino]propanediamide
CID 135648812
4-tert-butyl-N-[(E)-(2-hydroxy-4-methoxyphenyl)methylideneamino]benzamide
CID 135613078

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-4-(1-methylcyclopropyl)benzamide?
The IUPAC name of N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-4-(1-methylcyclopropyl)benzamide (CID 137037301) is N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-4-(1-methylcyclopropyl)benzamide.
What is the SMILES notation for N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-4-(1-methylcyclopropyl)benzamide?
The canonical SMILES for N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-4-(1-methylcyclopropyl)benzamide is CC1(c2ccc(C(=O)N/N=C\c3ccc(O)cc3O)cc2)[CH+]C1.
What is the InChIKey of N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-4-(1-methylcyclopropyl)benzamide?
The InChIKey is OZFBYTPBTGYYOA-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H16N2O3/c1-18(8-9-18)14-5-2-12(3-6-14)17(23)20-19-11-13-4-7-15(21)10-16(13)22/h2-8,10-11H,9H2,1H3,(H2-,19,20,21,22,23)/p+1.
What are the key properties of N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-4-(1-methylcyclopropyl)benzamide?
N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-4-(1-methylcyclopropyl)benzamide has a molecular weight of 309.35 g/mol, XLogP of 2.73, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-4-(1-methylcyclopropyl)benzamide is sourced from PubChem (CID 137037301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).