5-amino-2-[[3-(4-aminophenoxy)benzoyl]amino]-N-ethylbenzamide

C22H22N4O3 — CID 158723473

IUPAC5-amino-2-[[3-(4-aminophenoxy)benzoyl]amino]-N-ethylbenzamide
SMILESCCNC(=O)c1cc(N)ccc1NC(=O)c1cccc(Oc2ccc(N)cc2)c1
InChIInChI=1S/C22H22N4O3/c1-2-25-22(28)19-13-16(24)8-11-20(19)26-21(27)14-4-3-5-18(12-14)29-17-9-6-15(23)7-10-17/h3-13H,2,23-24H2,1H3,(H,25,28)(H,26,27)
InChIKeyIKEZCBQTIAAPJX-UHFFFAOYSA-N
MW390.44 g/mol
LogP3.65
Rot. Bonds6

About 5-amino-2-[[3-(4-aminophenoxy)benzoyl]amino]-N-ethylbenzamide

5-amino-2-[[3-(4-aminophenoxy)benzoyl]amino]-N-ethylbenzamide (PubChem CID 158723473) has the molecular formula C22H22N4O3 and a molecular weight of 390.44 g/mol. Its IUPAC name is 5-amino-2-[[3-(4-aminophenoxy)benzoyl]amino]-N-ethylbenzamide.

Molecular Properties

Compound Name5-amino-2-[[3-(4-aminophenoxy)benzoyl]amino]-N-ethylbenzamide
PubChem CID158723473
Molecular FormulaC22H22N4O3
Molecular Weight390.44 g/mol
Exact Mass390.17
IUPAC Name5-amino-2-[[3-(4-aminophenoxy)benzoyl]amino]-N-ethylbenzamide
SMILESCCNC(=O)c1cc(N)ccc1NC(=O)c1cccc(Oc2ccc(N)cc2)c1
InChIInChI=1S/C22H22N4O3/c1-2-25-22(28)19-13-16(24)8-11-20(19)26-21(27)14-4-3-5-18(12-14)29-17-9-6-15(23)7-10-17/h3-13H,2,23-24H2,1H3,(H,25,28)(H,26,27)
InChIKeyIKEZCBQTIAAPJX-UHFFFAOYSA-N
XLogP3.65
TPSA119.47 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 53.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(4-bromophenoxy)-N-ethylbenzamide
CID 12941905
2-[(3-butoxybenzoyl)amino]-N-ethylbenzamide
CID 4956581
N-(4-amino-2-chlorophenyl)-3-ethoxybenzamide
CID 100829813
N-(4-amino-2-methoxyphenyl)-3-ethoxybenzamide
CID 54852547
N-(2-methylpropyl)-2-[(3-pyridin-4-yloxybenzoyl)amino]benzamide
CID 86942317
2-[(3-aminobenzoyl)amino]-N-[4-(4-methylphenoxy)phenyl]benzamide
CID 17261173
N-(2-methylphenyl)-3-phenoxybenzamide
CID 2097138
N-(2-tert-butylphenyl)-3-phenoxybenzamide
CID 7920156
N-(5-amino-2-methylphenyl)-4-phenoxybenzamide
CID 57326481
N-(4-amino-2-methylphenyl)-3-(difluoromethoxy)benzamide
CID 28973900
5-amino-N-ethyl-2-(3-methoxypropylamino)benzamide
CID 100640478
N-(4-amino-2-methoxyphenyl)-3-(2-ethoxyethoxy)benzamide
CID 54852788

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[[3-(4-aminophenoxy)benzoyl]amino]-N-ethylbenzamide?
The IUPAC name of 5-amino-2-[[3-(4-aminophenoxy)benzoyl]amino]-N-ethylbenzamide (CID 158723473) is 5-amino-2-[[3-(4-aminophenoxy)benzoyl]amino]-N-ethylbenzamide.
What is the SMILES notation for 5-amino-2-[[3-(4-aminophenoxy)benzoyl]amino]-N-ethylbenzamide?
The canonical SMILES for 5-amino-2-[[3-(4-aminophenoxy)benzoyl]amino]-N-ethylbenzamide is CCNC(=O)c1cc(N)ccc1NC(=O)c1cccc(Oc2ccc(N)cc2)c1.
What is the InChIKey of 5-amino-2-[[3-(4-aminophenoxy)benzoyl]amino]-N-ethylbenzamide?
The InChIKey is IKEZCBQTIAAPJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3/c1-2-25-22(28)19-13-16(24)8-11-20(19)26-21(27)14-4-3-5-18(12-14)29-17-9-6-15(23)7-10-17/h3-13H,2,23-24H2,1H3,(H,25,28)(H,26,27).
What are the key properties of 5-amino-2-[[3-(4-aminophenoxy)benzoyl]amino]-N-ethylbenzamide?
5-amino-2-[[3-(4-aminophenoxy)benzoyl]amino]-N-ethylbenzamide has a molecular weight of 390.44 g/mol, XLogP of 3.65, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[[3-(4-aminophenoxy)benzoyl]amino]-N-ethylbenzamide is sourced from PubChem (CID 158723473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).