3-[(4-aminobenzoyl)amino]-N-(3-ethoxypropyl)benzamide

C19H23N3O3 — CID 119717789

IUPAC3-[(4-aminobenzoyl)amino]-N-(3-ethoxypropyl)benzamide
SMILESCCOCCCNC(=O)c1cccc(NC(=O)c2ccc(N)cc2)c1
InChIInChI=1S/C19H23N3O3/c1-2-25-12-4-11-21-18(23)15-5-3-6-17(13-15)22-19(24)14-7-9-16(20)10-8-14/h3,5-10,13H,2,4,11-12,20H2,1H3,(H,21,23)(H,22,24)
InChIKeyRUSDCYIMUUHKQB-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.68
Rot. Bonds8

About 3-[(4-aminobenzoyl)amino]-N-(3-ethoxypropyl)benzamide

3-[(4-aminobenzoyl)amino]-N-(3-ethoxypropyl)benzamide (PubChem CID 119717789) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 3-[(4-aminobenzoyl)amino]-N-(3-ethoxypropyl)benzamide.

Molecular Properties

Compound Name3-[(4-aminobenzoyl)amino]-N-(3-ethoxypropyl)benzamide
PubChem CID119717789
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name3-[(4-aminobenzoyl)amino]-N-(3-ethoxypropyl)benzamide
SMILESCCOCCCNC(=O)c1cccc(NC(=O)c2ccc(N)cc2)c1
InChIInChI=1S/C19H23N3O3/c1-2-25-12-4-11-21-18(23)15-5-3-6-17(13-15)22-19(24)14-7-9-16(20)10-8-14/h3,5-10,13H,2,4,11-12,20H2,1H3,(H,21,23)(H,22,24)
InChIKeyRUSDCYIMUUHKQB-UHFFFAOYSA-N
XLogP2.68
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 3-[(4-aminobenzoyl)amino]-N-(3-ethoxypropyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-ethoxypropyl)-3-[(3-iodobenzoyl)amino]benzamide
CID 55801744
3-[(2-aminoacetyl)amino]-N-(3-ethoxypropyl)benzamide
CID 119286252
N-(3-ethoxypropyl)-3-[[3-(propan-2-ylcarbamoylamino)benzoyl]amino]benzamide
CID 55968925
4-[[3-(3-ethoxypropylcarbamoyl)phenyl]carbamoyl]pyridine-2-carboxylic acid
CID 119180627
4-chloro-N-[3-(3-ethoxypropylcarbamoyl)phenyl]-1H-pyrrole-2-carboxamide
CID 51090386
3-[(4-ethoxybenzoyl)amino]-N-(3-methoxypropyl)benzamide
CID 26160199
3-[[3-(2-ethoxyethoxy)benzoyl]amino]-N-(3-methoxypropyl)benzamide
CID 26160383
3-(2-aminopentanoylamino)-N-(3-ethoxypropyl)benzamide
CID 119286264
3-[(2-amino-2-methylpentanoyl)amino]-N-(3-ethoxypropyl)benzamide
CID 119717821
3-[(1-aminocyclopentanecarbonyl)amino]-N-(3-ethoxypropyl)benzamide;hydrochloride
CID 119286261
N-[3-(3-ethoxypropylcarbamoyl)phenyl]pyrrolidine-2-carboxamide
CID 119286258
N-[3-(3-ethoxypropylcarbamoyl)phenyl]-1,2-benzothiazole-3-carboxamide
CID 53030354

Frequently Asked Questions

What is the IUPAC name of 3-[(4-aminobenzoyl)amino]-N-(3-ethoxypropyl)benzamide?
The IUPAC name of 3-[(4-aminobenzoyl)amino]-N-(3-ethoxypropyl)benzamide (CID 119717789) is 3-[(4-aminobenzoyl)amino]-N-(3-ethoxypropyl)benzamide.
What is the SMILES notation for 3-[(4-aminobenzoyl)amino]-N-(3-ethoxypropyl)benzamide?
The canonical SMILES for 3-[(4-aminobenzoyl)amino]-N-(3-ethoxypropyl)benzamide is CCOCCCNC(=O)c1cccc(NC(=O)c2ccc(N)cc2)c1.
What is the InChIKey of 3-[(4-aminobenzoyl)amino]-N-(3-ethoxypropyl)benzamide?
The InChIKey is RUSDCYIMUUHKQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-2-25-12-4-11-21-18(23)15-5-3-6-17(13-15)22-19(24)14-7-9-16(20)10-8-14/h3,5-10,13H,2,4,11-12,20H2,1H3,(H,21,23)(H,22,24).
What are the key properties of 3-[(4-aminobenzoyl)amino]-N-(3-ethoxypropyl)benzamide?
3-[(4-aminobenzoyl)amino]-N-(3-ethoxypropyl)benzamide has a molecular weight of 341.41 g/mol, XLogP of 2.68, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-aminobenzoyl)amino]-N-(3-ethoxypropyl)benzamide is sourced from PubChem (CID 119717789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).