2-(3-aminophenyl)-N-ethyl-N-propan-2-ylacetamide

C13H20N2O — CID 62498182

IUPAC2-(3-aminophenyl)-N-ethyl-N-propan-2-ylacetamide
SMILESCCN(C(=O)Cc1cccc(N)c1)C(C)C
InChIInChI=1S/C13H20N2O/c1-4-15(10(2)3)13(16)9-11-6-5-7-12(14)8-11/h5-8,10H,4,9,14H2,1-3H3
InChIKeyJUHSSCVHXLTAPF-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.07
Rot. Bonds4

About 2-(3-aminophenyl)-N-ethyl-N-propan-2-ylacetamide

2-(3-aminophenyl)-N-ethyl-N-propan-2-ylacetamide (PubChem CID 62498182) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 2-(3-aminophenyl)-N-ethyl-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(3-aminophenyl)-N-ethyl-N-propan-2-ylacetamide
PubChem CID62498182
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name2-(3-aminophenyl)-N-ethyl-N-propan-2-ylacetamide
SMILESCCN(C(=O)Cc1cccc(N)c1)C(C)C
InChIInChI=1S/C13H20N2O/c1-4-15(10(2)3)13(16)9-11-6-5-7-12(14)8-11/h5-8,10H,4,9,14H2,1-3H3
InChIKeyJUHSSCVHXLTAPF-UHFFFAOYSA-N
XLogP2.07
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(3-aminophenyl)-N-ethyl-N-propan-2-ylacetamide 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-(3-aminophenyl)-N-ethyl-N-propan-2-ylpropanamide
CID 43309224
ethyl 2-[[2-(3-aminophenyl)acetyl]-propan-2-ylamino]acetate
CID 62498045
2-(3-aminophenyl)-N-(2-methoxyethyl)-N-propan-2-ylacetamide
CID 82947951
2-(3-aminophenyl)-N-methyl-N-pentan-3-ylacetamide
CID 62499334
3-amino-N-ethyl-N-propan-2-ylbenzamide;hydrochloride
CID 119705659
2-(3-aminophenyl)-N-(1-cyanopropan-2-yl)-N-methylacetamide
CID 63221975
3-(3-aminophenyl)-N-ethyl-N-(1-methoxypropan-2-yl)propanamide
CID 55009959
N-[(3-aminophenyl)methyl]-N-ethyl-3-methylbutanamide
CID 43459012
3-[3-(3-aminophenyl)propanoyl-propan-2-ylamino]propanoic acid
CID 115341312
2-(3-aminophenyl)acetic acid;propanoic acid
CID 175479045
1-(3-aminophenyl)-4-ethylhexan-2-one
CID 116577226
2-(3-hydroxyphenyl)-N-(2-methylpropyl)-N-propan-2-ylacetamide
CID 55000494

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenyl)-N-ethyl-N-propan-2-ylacetamide?
The IUPAC name of 2-(3-aminophenyl)-N-ethyl-N-propan-2-ylacetamide (CID 62498182) is 2-(3-aminophenyl)-N-ethyl-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(3-aminophenyl)-N-ethyl-N-propan-2-ylacetamide?
The canonical SMILES for 2-(3-aminophenyl)-N-ethyl-N-propan-2-ylacetamide is CCN(C(=O)Cc1cccc(N)c1)C(C)C.
What is the InChIKey of 2-(3-aminophenyl)-N-ethyl-N-propan-2-ylacetamide?
The InChIKey is JUHSSCVHXLTAPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-4-15(10(2)3)13(16)9-11-6-5-7-12(14)8-11/h5-8,10H,4,9,14H2,1-3H3.
What are the key properties of 2-(3-aminophenyl)-N-ethyl-N-propan-2-ylacetamide?
2-(3-aminophenyl)-N-ethyl-N-propan-2-ylacetamide has a molecular weight of 220.32 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenyl)-N-ethyl-N-propan-2-ylacetamide is sourced from PubChem (CID 62498182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).