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

C14H22N2O — CID 43309224

IUPAC3-(3-aminophenyl)-N-ethyl-N-propan-2-ylpropanamide
SMILESCCN(C(=O)CCc1cccc(N)c1)C(C)C
InChIInChI=1S/C14H22N2O/c1-4-16(11(2)3)14(17)9-8-12-6-5-7-13(15)10-12/h5-7,10-11H,4,8-9,15H2,1-3H3
InChIKeyYDRJCDRFSNGXAF-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.46
Rot. Bonds5

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

3-(3-aminophenyl)-N-ethyl-N-propan-2-ylpropanamide (PubChem CID 43309224) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 3-(3-aminophenyl)-N-ethyl-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-(3-aminophenyl)-N-ethyl-N-propan-2-ylpropanamide
PubChem CID43309224
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name3-(3-aminophenyl)-N-ethyl-N-propan-2-ylpropanamide
SMILESCCN(C(=O)CCc1cccc(N)c1)C(C)C
InChIInChI=1S/C14H22N2O/c1-4-16(11(2)3)14(17)9-8-12-6-5-7-13(15)10-12/h5-7,10-11H,4,8-9,15H2,1-3H3
InChIKeyYDRJCDRFSNGXAF-UHFFFAOYSA-N
XLogP2.46
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(3-aminophenyl)-N-ethyl-N-propan-2-ylpropanamide 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-(1-methoxypropan-2-yl)propanamide
CID 55009959
2-(3-aminophenyl)-N-ethyl-N-propan-2-ylacetamide
CID 62498182
3-[3-(3-aminophenyl)propanoyl-propan-2-ylamino]propanoic acid
CID 115341312
methyl 2-[3-(3-aminophenyl)propanoyl-propan-2-ylamino]acetate
CID 80701573
3-(3-aminophenyl)-N-(1-hydroxypropan-2-yl)-N-methylpropanamide
CID 104550949
3-(3-aminophenyl)-N-methyl-N-(2-methylbutyl)propanamide
CID 43308993
3-(3-aminophenyl)-N-benzyl-N-ethylpropanamide
CID 28713346
3-(3-aminophenyl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)propanamide
CID 79385637
3-(3-aminophenyl)-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propanamide
CID 80694736
1-(3-aminophenyl)-5-methylheptan-3-one
CID 116603308
[2-(diethylamino)-2-oxoethyl] 3-(3-aminophenyl)propanoate
CID 80701327
3-amino-N-ethyl-N-propan-2-ylbenzamide;hydrochloride
CID 119705659

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminophenyl)-N-ethyl-N-propan-2-ylpropanamide?
The IUPAC name of 3-(3-aminophenyl)-N-ethyl-N-propan-2-ylpropanamide (CID 43309224) is 3-(3-aminophenyl)-N-ethyl-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-(3-aminophenyl)-N-ethyl-N-propan-2-ylpropanamide?
The canonical SMILES for 3-(3-aminophenyl)-N-ethyl-N-propan-2-ylpropanamide is CCN(C(=O)CCc1cccc(N)c1)C(C)C.
What is the InChIKey of 3-(3-aminophenyl)-N-ethyl-N-propan-2-ylpropanamide?
The InChIKey is YDRJCDRFSNGXAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-4-16(11(2)3)14(17)9-8-12-6-5-7-13(15)10-12/h5-7,10-11H,4,8-9,15H2,1-3H3.
What are the key properties of 3-(3-aminophenyl)-N-ethyl-N-propan-2-ylpropanamide?
3-(3-aminophenyl)-N-ethyl-N-propan-2-ylpropanamide has a molecular weight of 234.34 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminophenyl)-N-ethyl-N-propan-2-ylpropanamide is sourced from PubChem (CID 43309224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).