2-(3-aminophenyl)-N-[3-(dimethylamino)propyl]-N-(2-methoxyethyl)acetamide

C16H27N3O2 — CID 62500315

IUPAC2-(3-aminophenyl)-N-[3-(dimethylamino)propyl]-N-(2-methoxyethyl)acetamide
SMILESCOCCN(CCCN(C)C)C(=O)Cc1cccc(N)c1
InChIInChI=1S/C16H27N3O2/c1-18(2)8-5-9-19(10-11-21-3)16(20)13-14-6-4-7-15(17)12-14/h4,6-7,12H,5,8-11,13,17H2,1-3H3
InChIKeySZJHCIRAOXXJIG-UHFFFAOYSA-N
MW293.41 g/mol
LogP1.24
Rot. Bonds9

About 2-(3-aminophenyl)-N-[3-(dimethylamino)propyl]-N-(2-methoxyethyl)acetamide

2-(3-aminophenyl)-N-[3-(dimethylamino)propyl]-N-(2-methoxyethyl)acetamide (PubChem CID 62500315) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 2-(3-aminophenyl)-N-[3-(dimethylamino)propyl]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-(3-aminophenyl)-N-[3-(dimethylamino)propyl]-N-(2-methoxyethyl)acetamide
PubChem CID62500315
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name2-(3-aminophenyl)-N-[3-(dimethylamino)propyl]-N-(2-methoxyethyl)acetamide
SMILESCOCCN(CCCN(C)C)C(=O)Cc1cccc(N)c1
InChIInChI=1S/C16H27N3O2/c1-18(2)8-5-9-19(10-11-21-3)16(20)13-14-6-4-7-15(17)12-14/h4,6-7,12H,5,8-11,13,17H2,1-3H3
InChIKeySZJHCIRAOXXJIG-UHFFFAOYSA-N
XLogP1.24
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(3-aminophenyl)-N-[3-(dimethylamino)propyl]-N-(2-methoxyethyl)acetamide 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

2-(3-aminophenyl)-N-(2-methoxyethyl)-N-propan-2-ylacetamide
CID 82947951
2-(3-aminophenyl)-N-hexyl-N-(2-hydroxyethyl)acetamide
CID 62498199
2-(3-bromophenyl)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)acetamide
CID 115902380
3-[3-[2-methoxyethyl(methyl)amino]propyl]aniline
CID 115341872
2-(3-aminophenyl)-N-methyl-N-(3-phenylpropyl)acetamide
CID 62498844
N-[(3-aminophenyl)methyl]-N-ethyl-3-methoxypropanamide
CID 62588734
N-(2-chloroethyl)-N-(2-methoxyethyl)-2-(3-methoxyphenyl)acetamide
CID 113468253
2-(3-aminophenyl)-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylacetamide
CID 62499845
3-amino-N,N-bis[3-(dimethylamino)propyl]benzamide
CID 11404016
2-[[2-(3-iodophenyl)acetyl]-(2-methoxyethyl)amino]acetic acid
CID 119348042
3-[[2-[2-(2-methoxyethoxy)ethoxy]ethyl-methylamino]methyl]aniline
CID 104563895
N,N-bis(2-methoxyethyl)-3-(3-methylphenyl)propanamide
CID 86913071

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenyl)-N-[3-(dimethylamino)propyl]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-(3-aminophenyl)-N-[3-(dimethylamino)propyl]-N-(2-methoxyethyl)acetamide (CID 62500315) is 2-(3-aminophenyl)-N-[3-(dimethylamino)propyl]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-(3-aminophenyl)-N-[3-(dimethylamino)propyl]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-(3-aminophenyl)-N-[3-(dimethylamino)propyl]-N-(2-methoxyethyl)acetamide is COCCN(CCCN(C)C)C(=O)Cc1cccc(N)c1.
What is the InChIKey of 2-(3-aminophenyl)-N-[3-(dimethylamino)propyl]-N-(2-methoxyethyl)acetamide?
The InChIKey is SZJHCIRAOXXJIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-18(2)8-5-9-19(10-11-21-3)16(20)13-14-6-4-7-15(17)12-14/h4,6-7,12H,5,8-11,13,17H2,1-3H3.
What are the key properties of 2-(3-aminophenyl)-N-[3-(dimethylamino)propyl]-N-(2-methoxyethyl)acetamide?
2-(3-aminophenyl)-N-[3-(dimethylamino)propyl]-N-(2-methoxyethyl)acetamide has a molecular weight of 293.41 g/mol, XLogP of 1.24, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenyl)-N-[3-(dimethylamino)propyl]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 62500315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).