3-acetamido-N-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]benzamide

C20H24N4O3 — CID 137122867

IUPAC3-acetamido-N-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]benzamide
SMILESCCN(CC)c1ccc(/C=N\NC(=O)c2cccc(NC(C)=O)c2)c(O)c1
InChIInChI=1S/C20H24N4O3/c1-4-24(5-2)18-10-9-16(19(26)12-18)13-21-23-20(27)15-7-6-8-17(11-15)22-14(3)25/h6-13,26H,4-5H2,1-3H3,(H,22,25)(H,23,27)/b21-13-
InChIKeyWOVLLYUPYFQWRW-BKUYFWCQSA-N
MW368.44 g/mol
LogP2.96
Rot. Bonds7

About 3-acetamido-N-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]benzamide

3-acetamido-N-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]benzamide (PubChem CID 137122867) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is 3-acetamido-N-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]benzamide.

Molecular Properties

Compound Name3-acetamido-N-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]benzamide
PubChem CID137122867
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC Name3-acetamido-N-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]benzamide
SMILESCCN(CC)c1ccc(/C=N\NC(=O)c2cccc(NC(C)=O)c2)c(O)c1
InChIInChI=1S/C20H24N4O3/c1-4-24(5-2)18-10-9-16(19(26)12-18)13-21-23-20(27)15-7-6-8-17(11-15)22-14(3)25/h6-13,26H,4-5H2,1-3H3,(H,22,25)(H,23,27)/b21-13-
InChIKeyWOVLLYUPYFQWRW-BKUYFWCQSA-N
XLogP2.96
TPSA94.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 52.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-3-(dimethylamino)benzamide
CID 135982653
N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-3,5-dihydroxybenzamide
CID 135472599
N-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-4-fluorobenzamide
CID 135642474
N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]pyridine-4-carboxamide;hydrate
CID 139202887
4-(butanoylamino)-N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]benzamide
CID 3370614
N-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-3H-benzimidazole-5-carboxamide
CID 135781530
N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-3,5-dimethoxybenzamide
CID 135614851
N-[4-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]phenyl]acetamide
CID 738975
N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-4-methylsulfonylbenzamide
CID 155812617
5-bromo-N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]pyridine-3-carboxamide
CID 135643232
N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 3725484
2-anilino-N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]acetamide
CID 135620274

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]benzamide?
The IUPAC name of 3-acetamido-N-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]benzamide (CID 137122867) is 3-acetamido-N-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]benzamide.
What is the SMILES notation for 3-acetamido-N-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]benzamide?
The canonical SMILES for 3-acetamido-N-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]benzamide is CCN(CC)c1ccc(/C=N\NC(=O)c2cccc(NC(C)=O)c2)c(O)c1.
What is the InChIKey of 3-acetamido-N-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]benzamide?
The InChIKey is WOVLLYUPYFQWRW-BKUYFWCQSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-4-24(5-2)18-10-9-16(19(26)12-18)13-21-23-20(27)15-7-6-8-17(11-15)22-14(3)25/h6-13,26H,4-5H2,1-3H3,(H,22,25)(H,23,27)/b21-13-.
What are the key properties of 3-acetamido-N-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]benzamide?
3-acetamido-N-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]benzamide has a molecular weight of 368.44 g/mol, XLogP of 2.96, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]benzamide is sourced from PubChem (CID 137122867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).