N-[(Z)-(3-ethoxy-4-propan-2-yloxyphenyl)methylideneamino]-4-hydroxybenzamide

C19H22N2O4 — CID 112537989

IUPACN-[(Z)-(3-ethoxy-4-propan-2-yloxyphenyl)methylideneamino]-4-hydroxybenzamide
SMILESCCOc1cc(/C=N\NC(=O)c2ccc(O)cc2)ccc1OC(C)C
InChIInChI=1S/C19H22N2O4/c1-4-24-18-11-14(5-10-17(18)25-13(2)3)12-20-21-19(23)15-6-8-16(22)9-7-15/h5-13,22H,4H2,1-3H3,(H,21,23)/b20-12-
InChIKeyQRZFTFMNOOBACG-NDENLUEZSA-N
MW342.40 g/mol
LogP3.34
Rot. Bonds7

About N-[(Z)-(3-ethoxy-4-propan-2-yloxyphenyl)methylideneamino]-4-hydroxybenzamide

N-[(Z)-(3-ethoxy-4-propan-2-yloxyphenyl)methylideneamino]-4-hydroxybenzamide (PubChem CID 112537989) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is N-[(Z)-(3-ethoxy-4-propan-2-yloxyphenyl)methylideneamino]-4-hydroxybenzamide.

Molecular Properties

Compound NameN-[(Z)-(3-ethoxy-4-propan-2-yloxyphenyl)methylideneamino]-4-hydroxybenzamide
PubChem CID112537989
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC NameN-[(Z)-(3-ethoxy-4-propan-2-yloxyphenyl)methylideneamino]-4-hydroxybenzamide
SMILESCCOc1cc(/C=N\NC(=O)c2ccc(O)cc2)ccc1OC(C)C
InChIInChI=1S/C19H22N2O4/c1-4-24-18-11-14(5-10-17(18)25-13(2)3)12-20-21-19(23)15-6-8-16(22)9-7-15/h5-13,22H,4H2,1-3H3,(H,21,23)/b20-12-
InChIKeyQRZFTFMNOOBACG-NDENLUEZSA-N
XLogP3.34
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(Z)-(3-ethoxy-4-nonoxyphenyl)methylideneamino]-4-hydroxybenzamide
CID 110509384
4-amino-N-[(Z)-[4-(difluoromethoxy)-3-ethoxyphenyl]methylideneamino]benzamide
CID 9070784
3,4-diethoxy-N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]benzamide
CID 137068274
N-[(Z)-[4-[(2,6-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-4-hydroxybenzamide
CID 110509381
N-[(E)-(3-ethoxy-4-propan-2-yloxyphenyl)methylideneamino]pentanamide
CID 110506843
4-methoxy-N-[(Z)-(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]benzamide
CID 40551611
4-hydroxy-N-[(Z)-(4-propan-2-yloxyphenyl)methylideneamino]benzamide
CID 112537987
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-3,4-diethoxybenzamide
CID 126324627
N-[(Z)-[4-[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]oxy-3-ethoxyphenyl]methylideneamino]-4-methoxybenzamide
CID 9359256
N-[(Z)-(3-chloro-4,5-diethoxyphenyl)methylideneamino]-4-hydroxybenzamide
CID 110509413
4-ethoxy-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide
CID 135472605
4-tert-butyl-N-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]benzamide
CID 923419

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(3-ethoxy-4-propan-2-yloxyphenyl)methylideneamino]-4-hydroxybenzamide?
The IUPAC name of N-[(Z)-(3-ethoxy-4-propan-2-yloxyphenyl)methylideneamino]-4-hydroxybenzamide (CID 112537989) is N-[(Z)-(3-ethoxy-4-propan-2-yloxyphenyl)methylideneamino]-4-hydroxybenzamide.
What is the SMILES notation for N-[(Z)-(3-ethoxy-4-propan-2-yloxyphenyl)methylideneamino]-4-hydroxybenzamide?
The canonical SMILES for N-[(Z)-(3-ethoxy-4-propan-2-yloxyphenyl)methylideneamino]-4-hydroxybenzamide is CCOc1cc(/C=N\NC(=O)c2ccc(O)cc2)ccc1OC(C)C.
What is the InChIKey of N-[(Z)-(3-ethoxy-4-propan-2-yloxyphenyl)methylideneamino]-4-hydroxybenzamide?
The InChIKey is QRZFTFMNOOBACG-NDENLUEZSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-4-24-18-11-14(5-10-17(18)25-13(2)3)12-20-21-19(23)15-6-8-16(22)9-7-15/h5-13,22H,4H2,1-3H3,(H,21,23)/b20-12-.
What are the key properties of N-[(Z)-(3-ethoxy-4-propan-2-yloxyphenyl)methylideneamino]-4-hydroxybenzamide?
N-[(Z)-(3-ethoxy-4-propan-2-yloxyphenyl)methylideneamino]-4-hydroxybenzamide has a molecular weight of 342.40 g/mol, XLogP of 3.34, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(3-ethoxy-4-propan-2-yloxyphenyl)methylideneamino]-4-hydroxybenzamide is sourced from PubChem (CID 112537989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).