4-(butanoylamino)-N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]benzamide

C22H28N4O3 — CID 3370614

IUPAC4-(butanoylamino)-N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]benzamide
SMILESCCCC(=O)Nc1ccc(C(=O)NN=Cc2ccc(N(CC)CC)cc2O)cc1
InChIInChI=1S/C22H28N4O3/c1-4-7-21(28)24-18-11-8-16(9-12-18)22(29)25-23-15-17-10-13-19(14-20(17)27)26(5-2)6-3/h8-15,27H,4-7H2,1-3H3,(H,24,28)(H,25,29)
InChIKeyWVVKSAUJAVXQIH-UHFFFAOYSA-N
MW396.49 g/mol
LogP3.74
Rot. Bonds9

About 4-(butanoylamino)-N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]benzamide

4-(butanoylamino)-N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]benzamide (PubChem CID 3370614) has the molecular formula C22H28N4O3 and a molecular weight of 396.49 g/mol. Its IUPAC name is 4-(butanoylamino)-N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]benzamide.

Molecular Properties

Compound Name4-(butanoylamino)-N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]benzamide
PubChem CID3370614
Molecular FormulaC22H28N4O3
Molecular Weight396.49 g/mol
Exact Mass396.22
IUPAC Name4-(butanoylamino)-N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]benzamide
SMILESCCCC(=O)Nc1ccc(C(=O)NN=Cc2ccc(N(CC)CC)cc2O)cc1
InChIInChI=1S/C22H28N4O3/c1-4-7-21(28)24-18-11-8-16(9-12-18)22(29)25-23-15-17-10-13-19(14-20(17)27)26(5-2)6-3/h8-15,27H,4-7H2,1-3H3,(H,24,28)(H,25,29)
InChIKeyWVVKSAUJAVXQIH-UHFFFAOYSA-N
XLogP3.74
TPSA94.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 53.74
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-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-4-fluorobenzamide
CID 135642474
N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-3,5-dihydroxybenzamide
CID 135472599
N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-4-methylsulfonylbenzamide
CID 155812617
N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]pyridine-4-carboxamide;hydrate
CID 139202887
3-acetamido-N-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]benzamide
CID 137122867
N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]dodecanamide
CID 4626456
N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-3-(dimethylamino)benzamide
CID 135982653
N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-3,5-dimethoxybenzamide
CID 135614851
5-bromo-N-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]pyridine-3-carboxamide
CID 135643232
2-cyano-N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]acetamide
CID 2315436
N-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-3H-benzimidazole-5-carboxamide
CID 135781530
N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-4-(propanoylamino)benzamide
CID 5432105

Frequently Asked Questions

What is the IUPAC name of 4-(butanoylamino)-N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]benzamide?
The IUPAC name of 4-(butanoylamino)-N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]benzamide (CID 3370614) is 4-(butanoylamino)-N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]benzamide.
What is the SMILES notation for 4-(butanoylamino)-N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]benzamide?
The canonical SMILES for 4-(butanoylamino)-N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]benzamide is CCCC(=O)Nc1ccc(C(=O)NN=Cc2ccc(N(CC)CC)cc2O)cc1.
What is the InChIKey of 4-(butanoylamino)-N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]benzamide?
The InChIKey is WVVKSAUJAVXQIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O3/c1-4-7-21(28)24-18-11-8-16(9-12-18)22(29)25-23-15-17-10-13-19(14-20(17)27)26(5-2)6-3/h8-15,27H,4-7H2,1-3H3,(H,24,28)(H,25,29).
What are the key properties of 4-(butanoylamino)-N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]benzamide?
4-(butanoylamino)-N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]benzamide has a molecular weight of 396.49 g/mol, XLogP of 3.74, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(butanoylamino)-N-[[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]benzamide is sourced from PubChem (CID 3370614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).