3-(2-aminophenyl)-N-[1-(4-benzylmorpholin-2-yl)propyl]propanamide

C23H31N3O2 — CID 120613507

IUPAC3-(2-aminophenyl)-N-[1-(4-benzylmorpholin-2-yl)propyl]propanamide
SMILESCCC(NC(=O)CCc1ccccc1N)C1CN(Cc2ccccc2)CCO1
InChIInChI=1S/C23H31N3O2/c1-2-21(25-23(27)13-12-19-10-6-7-11-20(19)24)22-17-26(14-15-28-22)16-18-8-4-3-5-9-18/h3-11,21-22H,2,12-17,24H2,1H3,(H,25,27)
InChIKeyFHDNOKUVWRFSSN-UHFFFAOYSA-N
MW381.52 g/mol
LogP3.00
Rot. Bonds8

About 3-(2-aminophenyl)-N-[1-(4-benzylmorpholin-2-yl)propyl]propanamide

3-(2-aminophenyl)-N-[1-(4-benzylmorpholin-2-yl)propyl]propanamide (PubChem CID 120613507) has the molecular formula C23H31N3O2 and a molecular weight of 381.52 g/mol. Its IUPAC name is 3-(2-aminophenyl)-N-[1-(4-benzylmorpholin-2-yl)propyl]propanamide.

Molecular Properties

Compound Name3-(2-aminophenyl)-N-[1-(4-benzylmorpholin-2-yl)propyl]propanamide
PubChem CID120613507
Molecular FormulaC23H31N3O2
Molecular Weight381.52 g/mol
Exact Mass381.24
IUPAC Name3-(2-aminophenyl)-N-[1-(4-benzylmorpholin-2-yl)propyl]propanamide
SMILESCCC(NC(=O)CCc1ccccc1N)C1CN(Cc2ccccc2)CCO1
InChIInChI=1S/C23H31N3O2/c1-2-21(25-23(27)13-12-19-10-6-7-11-20(19)24)22-17-26(14-15-28-22)16-18-8-4-3-5-9-18/h3-11,21-22H,2,12-17,24H2,1H3,(H,25,27)
InChIKeyFHDNOKUVWRFSSN-UHFFFAOYSA-N
XLogP3.00
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(2-aminophenyl)-N-[1-(4-benzylmorpholin-2-yl)propyl]propanamide 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

(2S)-2-amino-N-[1-(4-benzylmorpholin-2-yl)propyl]butanamide
CID 119900648
(2S)-2-amino-N-[1-(4-benzylmorpholin-2-yl)propyl]butanamide;dihydrochloride
CID 119900647
N-[1-(4-benzylmorpholin-2-yl)propyl]-2-methyl-3-(methylamino)propanamide
CID 119900646
N-[(1R)-1-[(2S)-4-benzylmorpholin-2-yl]propyl]-2-[methyl(methylsulfonyl)amino]acetamide
CID 96542266
N-[1-(4-benzylmorpholin-2-yl)propyl]-2-(1H-pyrazol-5-yl)acetamide
CID 71917976
5-amino-N-[1-(4-benzylmorpholin-2-yl)propyl]-2-methylbenzamide
CID 120647819
N-[(1R)-1-[(2S)-4-benzylmorpholin-2-yl]propyl]thiadiazole-4-carboxamide
CID 97095923
N-[(1S)-1-[(2S)-4-benzylmorpholin-2-yl]propyl]-3,4-dihydro-2H-pyran-5-carboxamide
CID 124588230
2-N-[(1S)-1-[(2R)-4-benzylmorpholin-2-yl]propyl]pyridine-2,5-dicarboxamide
CID 96542255
3-(2-aminophenyl)-N-(1-cyclohexylpropyl)propanamide
CID 62406368
N-[(1R)-1-[(2S)-4-benzylmorpholin-2-yl]propyl]-2-cyclopropyl-1,3-thiazole-4-carboxamide
CID 96542270
N-[(1R)-1-[(2S)-4-benzylmorpholin-2-yl]ethyl]-2-methoxyacetamide
CID 95981588

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-N-[1-(4-benzylmorpholin-2-yl)propyl]propanamide?
The IUPAC name of 3-(2-aminophenyl)-N-[1-(4-benzylmorpholin-2-yl)propyl]propanamide (CID 120613507) is 3-(2-aminophenyl)-N-[1-(4-benzylmorpholin-2-yl)propyl]propanamide.
What is the SMILES notation for 3-(2-aminophenyl)-N-[1-(4-benzylmorpholin-2-yl)propyl]propanamide?
The canonical SMILES for 3-(2-aminophenyl)-N-[1-(4-benzylmorpholin-2-yl)propyl]propanamide is CCC(NC(=O)CCc1ccccc1N)C1CN(Cc2ccccc2)CCO1.
What is the InChIKey of 3-(2-aminophenyl)-N-[1-(4-benzylmorpholin-2-yl)propyl]propanamide?
The InChIKey is FHDNOKUVWRFSSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O2/c1-2-21(25-23(27)13-12-19-10-6-7-11-20(19)24)22-17-26(14-15-28-22)16-18-8-4-3-5-9-18/h3-11,21-22H,2,12-17,24H2,1H3,(H,25,27).
What are the key properties of 3-(2-aminophenyl)-N-[1-(4-benzylmorpholin-2-yl)propyl]propanamide?
3-(2-aminophenyl)-N-[1-(4-benzylmorpholin-2-yl)propyl]propanamide has a molecular weight of 381.52 g/mol, XLogP of 3.00, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)-N-[1-(4-benzylmorpholin-2-yl)propyl]propanamide is sourced from PubChem (CID 120613507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).