3-(3-amino-4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)propanamide

C16H25N3O3 — CID 39442278

IUPAC3-(3-amino-4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)propanamide
SMILESCOc1ccc(CCC(=O)NCCN2CCOCC2)cc1N
InChIInChI=1S/C16H25N3O3/c1-21-15-4-2-13(12-14(15)17)3-5-16(20)18-6-7-19-8-10-22-11-9-19/h2,4,12H,3,5-11,17H2,1H3,(H,18,20)
InChIKeyCAUITFUGIGVXLE-UHFFFAOYSA-N
MW307.39 g/mol
LogP0.66
Rot. Bonds7

About 3-(3-amino-4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)propanamide

3-(3-amino-4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)propanamide (PubChem CID 39442278) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is 3-(3-amino-4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)propanamide.

Molecular Properties

Compound Name3-(3-amino-4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)propanamide
PubChem CID39442278
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC Name3-(3-amino-4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)propanamide
SMILESCOc1ccc(CCC(=O)NCCN2CCOCC2)cc1N
InChIInChI=1S/C16H25N3O3/c1-21-15-4-2-13(12-14(15)17)3-5-16(20)18-6-7-19-8-10-22-11-9-19/h2,4,12H,3,5-11,17H2,1H3,(H,18,20)
InChIKeyCAUITFUGIGVXLE-UHFFFAOYSA-N
XLogP0.66
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-(3-amino-4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)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

4-(3,4-dimethoxyphenyl)-N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]butanamide
CID 110625284
3-(3-amino-4-methoxyphenyl)-N-ethylpropanamide
CID 39245446
3-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)propanamide
CID 127118554
2-(3-tert-butyl-4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)acetamide
CID 110767323
2-methoxy-5-[2-(2-morpholin-4-ylethylamino)propyl]aniline
CID 82257448
N-[2-(4-benzylpiperazin-1-yl)ethyl]-3-(3,4-dimethoxyphenyl)propanamide
CID 39963411
3-(2-methoxy-5-methylanilino)-N-(2-morpholin-4-ylethyl)propanamide
CID 109016626
2-(2-methoxyphenoxy)-N-(2-morpholin-4-ylethyl)acetamide
CID 806992
N'-(3,4-dimethoxyphenyl)-N-(2-morpholin-4-ylethyl)propanediamide
CID 108944084
N-[3-(azepan-1-yl)propyl]-3-(3,4-dimethoxyphenyl)propanamide
CID 92675634
3-(3-amino-4-methoxyphenyl)-N-(3-imidazol-1-ylpropyl)propanamide
CID 82152650
2-methoxy-4-(2-morpholin-4-ylethyl)aniline
CID 57416115

Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)propanamide?
The IUPAC name of 3-(3-amino-4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)propanamide (CID 39442278) is 3-(3-amino-4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)propanamide.
What is the SMILES notation for 3-(3-amino-4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)propanamide?
The canonical SMILES for 3-(3-amino-4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)propanamide is COc1ccc(CCC(=O)NCCN2CCOCC2)cc1N.
What is the InChIKey of 3-(3-amino-4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)propanamide?
The InChIKey is CAUITFUGIGVXLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3/c1-21-15-4-2-13(12-14(15)17)3-5-16(20)18-6-7-19-8-10-22-11-9-19/h2,4,12H,3,5-11,17H2,1H3,(H,18,20).
What are the key properties of 3-(3-amino-4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)propanamide?
3-(3-amino-4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)propanamide has a molecular weight of 307.39 g/mol, XLogP of 0.66, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-amino-4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)propanamide is sourced from PubChem (CID 39442278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).