4-amino-N-[(Z)-1-[4-[2-(diethylamino)-2-oxoethoxy]phenyl]ethylideneamino]benzamide

C21H26N4O3 — CID 7955371

IUPAC4-amino-N-[(Z)-1-[4-[2-(diethylamino)-2-oxoethoxy]phenyl]ethylideneamino]benzamide
SMILESCCN(CC)C(=O)COc1ccc(/C(C)=N\NC(=O)c2ccc(N)cc2)cc1
InChIInChI=1S/C21H26N4O3/c1-4-25(5-2)20(26)14-28-19-12-8-16(9-13-19)15(3)23-24-21(27)17-6-10-18(22)11-7-17/h6-13H,4-5,14,22H2,1-3H3,(H,24,27)/b23-15-
InChIKeyNEHPKIPGQITEGL-HAHDFKILSA-N
MW382.46 g/mol
LogP2.67
Rot. Bonds8

About 4-amino-N-[(Z)-1-[4-[2-(diethylamino)-2-oxoethoxy]phenyl]ethylideneamino]benzamide

4-amino-N-[(Z)-1-[4-[2-(diethylamino)-2-oxoethoxy]phenyl]ethylideneamino]benzamide (PubChem CID 7955371) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is 4-amino-N-[(Z)-1-[4-[2-(diethylamino)-2-oxoethoxy]phenyl]ethylideneamino]benzamide.

Molecular Properties

Compound Name4-amino-N-[(Z)-1-[4-[2-(diethylamino)-2-oxoethoxy]phenyl]ethylideneamino]benzamide
PubChem CID7955371
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC Name4-amino-N-[(Z)-1-[4-[2-(diethylamino)-2-oxoethoxy]phenyl]ethylideneamino]benzamide
SMILESCCN(CC)C(=O)COc1ccc(/C(C)=N\NC(=O)c2ccc(N)cc2)cc1
InChIInChI=1S/C21H26N4O3/c1-4-25(5-2)20(26)14-28-19-12-8-16(9-13-19)15(3)23-24-21(27)17-6-10-18(22)11-7-17/h6-13H,4-5,14,22H2,1-3H3,(H,24,27)/b23-15-
InChIKeyNEHPKIPGQITEGL-HAHDFKILSA-N
XLogP2.67
TPSA97.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', '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)-1-(4-aminophenyl)ethylideneamino]-4-ethoxybenzamide
CID 6375501
N-[1-(4-aminophenyl)ethylideneamino]-4-prop-2-enoxybenzamide
CID 4925774
1-N,4-N-bis[1-(4-aminophenyl)ethylideneamino]benzene-1,4-dicarboxamide
CID 4998105
2-[4-[(Z)-N-[(4-ethoxybenzoyl)amino]-C-methylcarbonimidoyl]phenoxy]acetate
CID 9214754
N-[(E)-1-(4-aminophenyl)ethylideneamino]-4-(3-methylbutoxy)benzamide
CID 6233039
N-[1-(4-ethoxyphenyl)ethylideneamino]benzamide
CID 912000
N-[1-(4-ethoxyphenyl)ethylideneamino]-4-fluorobenzamide
CID 3617176
N-[1-(4-aminophenyl)ethylideneamino]-2-(4-bromophenoxy)acetamide
CID 3466804
2-(4-aminophenoxy)-N-ethyl-N-propylacetamide
CID 61094181
N-[(Z)-1-(4-aminophenyl)ethylideneamino]-4-methylbenzamide
CID 6041987
methyl 2-[[2-(4-aminophenoxy)acetyl]-ethylamino]acetate
CID 54998119
4-amino-N-[1-(4-tert-butylphenyl)ethylideneamino]benzamide
CID 3435127

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(Z)-1-[4-[2-(diethylamino)-2-oxoethoxy]phenyl]ethylideneamino]benzamide?
The IUPAC name of 4-amino-N-[(Z)-1-[4-[2-(diethylamino)-2-oxoethoxy]phenyl]ethylideneamino]benzamide (CID 7955371) is 4-amino-N-[(Z)-1-[4-[2-(diethylamino)-2-oxoethoxy]phenyl]ethylideneamino]benzamide.
What is the SMILES notation for 4-amino-N-[(Z)-1-[4-[2-(diethylamino)-2-oxoethoxy]phenyl]ethylideneamino]benzamide?
The canonical SMILES for 4-amino-N-[(Z)-1-[4-[2-(diethylamino)-2-oxoethoxy]phenyl]ethylideneamino]benzamide is CCN(CC)C(=O)COc1ccc(/C(C)=N\NC(=O)c2ccc(N)cc2)cc1.
What is the InChIKey of 4-amino-N-[(Z)-1-[4-[2-(diethylamino)-2-oxoethoxy]phenyl]ethylideneamino]benzamide?
The InChIKey is NEHPKIPGQITEGL-HAHDFKILSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-4-25(5-2)20(26)14-28-19-12-8-16(9-13-19)15(3)23-24-21(27)17-6-10-18(22)11-7-17/h6-13H,4-5,14,22H2,1-3H3,(H,24,27)/b23-15-.
What are the key properties of 4-amino-N-[(Z)-1-[4-[2-(diethylamino)-2-oxoethoxy]phenyl]ethylideneamino]benzamide?
4-amino-N-[(Z)-1-[4-[2-(diethylamino)-2-oxoethoxy]phenyl]ethylideneamino]benzamide has a molecular weight of 382.46 g/mol, XLogP of 2.67, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(Z)-1-[4-[2-(diethylamino)-2-oxoethoxy]phenyl]ethylideneamino]benzamide is sourced from PubChem (CID 7955371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).