4-(cyclopropanecarbonylamino)-N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]benzamide

C20H21N3O4 — CID 135418714

IUPAC4-(cyclopropanecarbonylamino)-N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]benzamide
SMILESCCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)C3CC3)cc2)ccc1O
InChIInChI=1S/C20H21N3O4/c1-2-27-18-11-13(3-10-17(18)24)12-21-23-20(26)15-6-8-16(9-7-15)22-19(25)14-4-5-14/h3,6-12,14,24H,2,4-5H2,1H3,(H,22,25)(H,23,26)/b21-12+
InChIKeyTYYHTFJIMFZZAD-CIAFOILYSA-N
MW367.41 g/mol
LogP2.90
Rot. Bonds7

About 4-(cyclopropanecarbonylamino)-N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]benzamide

4-(cyclopropanecarbonylamino)-N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]benzamide (PubChem CID 135418714) has the molecular formula C20H21N3O4 and a molecular weight of 367.41 g/mol. Its IUPAC name is 4-(cyclopropanecarbonylamino)-N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-(cyclopropanecarbonylamino)-N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]benzamide
PubChem CID135418714
Molecular FormulaC20H21N3O4
Molecular Weight367.41 g/mol
Exact Mass367.15
IUPAC Name4-(cyclopropanecarbonylamino)-N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]benzamide
SMILESCCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)C3CC3)cc2)ccc1O
InChIInChI=1S/C20H21N3O4/c1-2-27-18-11-13(3-10-17(18)24)12-21-23-20(26)15-6-8-16(9-7-15)22-19(25)14-4-5-14/h3,6-12,14,24H,2,4-5H2,1H3,(H,22,25)(H,23,26)/b21-12+
InChIKeyTYYHTFJIMFZZAD-CIAFOILYSA-N
XLogP2.90
TPSA100.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', '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-[(2E)-2-(4-hydroxy-3-methoxybenzylidene)hydrazino]benzoic acid
CID 135412138
N'-[(1E)-(4-hydroxy-3-methoxyphenyl)methylidene]-4-(2-oxopyrrolidin-1-yl)benzohydrazide
CID 135478328
4-{[3-(4-Ethoxy-3-methoxyphenyl)acryloyl]amino}benzamide
CID 719549
N'-(3,4-dimethoxybenzylidene)-2-hydroxy-4-quinolinecarbohydrazide
CID 5347123
[2-ethoxy-4-[(Z)-[[4-(propanoylamino)benzoyl]hydrazinylidene]methyl]phenyl] benzoate
CID 5430393
[4-[(Z)-[[4-(2,2-dimethylpropanoylamino)benzoyl]hydrazinylidene]methyl]-2-ethoxyphenyl] 4-methylbenzoate
CID 5569475
[4-[(Z)-[[4-(2,2-dimethylpropanoylamino)benzoyl]hydrazinylidene]methyl]-2-ethoxyphenyl] 4-methoxybenzoate
CID 6070722
[4-[(E)-[[4-(cyclopropanecarbonylamino)benzoyl]hydrazinylidene]methyl]-2-methoxyphenyl] acetate
CID 6875717
2-{2-methoxy-4-[2-(3-methylbenzoyl)carbohydrazonoyl]phenoxy}-N-phenylacetamide
CID 9563824
4-(diethylamino)-N-[(E)-1-(3,4-dimethoxyphenyl)ethylideneamino]benzamide
CID 9647003
N-[4-({2-[2-(benzyloxy)benzylidene]hydrazino}carbonyl)phenyl]acetamide
CID 9675037
N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylidene]-3-(2-oxopyrrolidin-1-yl)benzohydrazide
CID 135411842

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropanecarbonylamino)-N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]benzamide?
The IUPAC name of 4-(cyclopropanecarbonylamino)-N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]benzamide (CID 135418714) is 4-(cyclopropanecarbonylamino)-N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 4-(cyclopropanecarbonylamino)-N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 4-(cyclopropanecarbonylamino)-N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]benzamide is CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)C3CC3)cc2)ccc1O.
What is the InChIKey of 4-(cyclopropanecarbonylamino)-N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]benzamide?
The InChIKey is TYYHTFJIMFZZAD-CIAFOILYSA-N. The full InChI is InChI=1S/C20H21N3O4/c1-2-27-18-11-13(3-10-17(18)24)12-21-23-20(26)15-6-8-16(9-7-15)22-19(25)14-4-5-14/h3,6-12,14,24H,2,4-5H2,1H3,(H,22,25)(H,23,26)/b21-12+.
What are the key properties of 4-(cyclopropanecarbonylamino)-N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]benzamide?
4-(cyclopropanecarbonylamino)-N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]benzamide has a molecular weight of 367.41 g/mol, XLogP of 2.90, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropanecarbonylamino)-N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 135418714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).