4-[3-(2-aminophenyl)propanoylamino]-N-(2-morpholin-4-ylethyl)benzamide

C22H28N4O3 — CID 120612721

IUPAC4-[3-(2-aminophenyl)propanoylamino]-N-(2-morpholin-4-ylethyl)benzamide
SMILESNc1ccccc1CCC(=O)Nc1ccc(C(=O)NCCN2CCOCC2)cc1
InChIInChI=1S/C22H28N4O3/c23-20-4-2-1-3-17(20)7-10-21(27)25-19-8-5-18(6-9-19)22(28)24-11-12-26-13-15-29-16-14-26/h1-6,8-9H,7,10-16,23H2,(H,24,28)(H,25,27)
InChIKeySGEKOGQZSYSUHY-UHFFFAOYSA-N
MW396.49 g/mol
LogP1.90
Rot. Bonds8

About 4-[3-(2-aminophenyl)propanoylamino]-N-(2-morpholin-4-ylethyl)benzamide

4-[3-(2-aminophenyl)propanoylamino]-N-(2-morpholin-4-ylethyl)benzamide (PubChem CID 120612721) has the molecular formula C22H28N4O3 and a molecular weight of 396.49 g/mol. Its IUPAC name is 4-[3-(2-aminophenyl)propanoylamino]-N-(2-morpholin-4-ylethyl)benzamide.

Molecular Properties

Compound Name4-[3-(2-aminophenyl)propanoylamino]-N-(2-morpholin-4-ylethyl)benzamide
PubChem CID120612721
Molecular FormulaC22H28N4O3
Molecular Weight396.49 g/mol
Exact Mass396.22
IUPAC Name4-[3-(2-aminophenyl)propanoylamino]-N-(2-morpholin-4-ylethyl)benzamide
SMILESNc1ccccc1CCC(=O)Nc1ccc(C(=O)NCCN2CCOCC2)cc1
InChIInChI=1S/C22H28N4O3/c23-20-4-2-1-3-17(20)7-10-21(27)25-19-8-5-18(6-9-19)22(28)24-11-12-26-13-15-29-16-14-26/h1-6,8-9H,7,10-16,23H2,(H,24,28)(H,25,27)
InChIKeySGEKOGQZSYSUHY-UHFFFAOYSA-N
XLogP1.90
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[3-(2-aminophenyl)propanoylamino]-N-(2-morpholin-4-ylethyl)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

3-(2-aminophenyl)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]propanamide;dihydrochloride
CID 120612232
2-(2-aminophenyl)-N-(2-morpholin-4-ylethyl)acetamide
CID 16782251
4-[[3-(2-aminophenyl)propanoylamino]methyl]-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 120613089
4-[(2-amino-3-phenylpropanoyl)amino]-N-(2-morpholin-4-ylethyl)benzamide
CID 119865081
3-(2-aminophenyl)-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]propanamide;hydrochloride
CID 120608729
4-[(2-amino-3-phenylpropanoyl)amino]-N-(2-morpholin-4-ylethyl)benzamide;dihydrochloride
CID 119865080
3-(2-aminophenyl)-N-(2-pyrrolidin-1-ylethyl)propanamide
CID 55097553
4-[3-(2-aminophenyl)propanoylamino]-N-cyclopropylbenzamide;hydrochloride
CID 120608448
4-[(4-chlorobenzoyl)amino]-N-(2-morpholin-4-ylethyl)benzamide
CID 48581606
N-[4-(2-morpholin-4-ylethylcarbamoyl)phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 48642627
4-(cyclobutanecarbonylamino)-N-(2-morpholin-4-ylethyl)benzamide
CID 48581633
4-(ethylamino)-N-(2-morpholin-4-ylethyl)benzamide
CID 62166054

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-aminophenyl)propanoylamino]-N-(2-morpholin-4-ylethyl)benzamide?
The IUPAC name of 4-[3-(2-aminophenyl)propanoylamino]-N-(2-morpholin-4-ylethyl)benzamide (CID 120612721) is 4-[3-(2-aminophenyl)propanoylamino]-N-(2-morpholin-4-ylethyl)benzamide.
What is the SMILES notation for 4-[3-(2-aminophenyl)propanoylamino]-N-(2-morpholin-4-ylethyl)benzamide?
The canonical SMILES for 4-[3-(2-aminophenyl)propanoylamino]-N-(2-morpholin-4-ylethyl)benzamide is Nc1ccccc1CCC(=O)Nc1ccc(C(=O)NCCN2CCOCC2)cc1.
What is the InChIKey of 4-[3-(2-aminophenyl)propanoylamino]-N-(2-morpholin-4-ylethyl)benzamide?
The InChIKey is SGEKOGQZSYSUHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O3/c23-20-4-2-1-3-17(20)7-10-21(27)25-19-8-5-18(6-9-19)22(28)24-11-12-26-13-15-29-16-14-26/h1-6,8-9H,7,10-16,23H2,(H,24,28)(H,25,27).
What are the key properties of 4-[3-(2-aminophenyl)propanoylamino]-N-(2-morpholin-4-ylethyl)benzamide?
4-[3-(2-aminophenyl)propanoylamino]-N-(2-morpholin-4-ylethyl)benzamide has a molecular weight of 396.49 g/mol, XLogP of 1.90, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-aminophenyl)propanoylamino]-N-(2-morpholin-4-ylethyl)benzamide is sourced from PubChem (CID 120612721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).