3-(2-amino-N-ethylanilino)-N-methylpropanamide

C12H19N3O — CID 62324074

IUPAC3-(2-amino-N-ethylanilino)-N-methylpropanamide
SMILESCCN(CCC(=O)NC)c1ccccc1N
InChIInChI=1S/C12H19N3O/c1-3-15(9-8-12(16)14-2)11-7-5-4-6-10(11)13/h4-7H,3,8-9,13H2,1-2H3,(H,14,16)
InChIKeyVMJUUQJQZHSISG-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.23
Rot. Bonds5

About 3-(2-amino-N-ethylanilino)-N-methylpropanamide

3-(2-amino-N-ethylanilino)-N-methylpropanamide (PubChem CID 62324074) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 3-(2-amino-N-ethylanilino)-N-methylpropanamide.

Molecular Properties

Compound Name3-(2-amino-N-ethylanilino)-N-methylpropanamide
PubChem CID62324074
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name3-(2-amino-N-ethylanilino)-N-methylpropanamide
SMILESCCN(CCC(=O)NC)c1ccccc1N
InChIInChI=1S/C12H19N3O/c1-3-15(9-8-12(16)14-2)11-7-5-4-6-10(11)13/h4-7H,3,8-9,13H2,1-2H3,(H,14,16)
InChIKeyVMJUUQJQZHSISG-UHFFFAOYSA-N
XLogP1.23
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2-amino-N-propylanilino)-N-ethylpropanamide
CID 55174588
3-(2-amino-N-propylanilino)propanoic acid
CID 63118513
3-(N-ethyl-2-fluoroanilino)propanehydrazide
CID 63583064
3-[(2-aminophenyl)methyl-propylamino]-N-methylpropanamide
CID 62324815
ethyl 2-(2-amino-N-ethylanilino)acetate
CID 62102481
3-[2-amino-N-[3-(dimethylamino)propyl]anilino]propanoic acid
CID 114525625
2-(2-amino-N-ethylanilino)-N-(4-bromophenyl)acetamide
CID 62102482
3-[2-amino-N-(3-hydroxypropyl)anilino]propanoic acid
CID 63118484
3-(3-amino-N-methyl-2-nitroanilino)-N-methylpropanamide
CID 106918451
N-(2-aminophenyl)-N-propylbutanamide
CID 63230657
2-(2-amino-N-propylanilino)-N-butylacetamide
CID 63230533
1-(2-aminophenyl)-1-ethyl-3,3-dimethylurea
CID 79153610

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-N-ethylanilino)-N-methylpropanamide?
The IUPAC name of 3-(2-amino-N-ethylanilino)-N-methylpropanamide (CID 62324074) is 3-(2-amino-N-ethylanilino)-N-methylpropanamide.
What is the SMILES notation for 3-(2-amino-N-ethylanilino)-N-methylpropanamide?
The canonical SMILES for 3-(2-amino-N-ethylanilino)-N-methylpropanamide is CCN(CCC(=O)NC)c1ccccc1N.
What is the InChIKey of 3-(2-amino-N-ethylanilino)-N-methylpropanamide?
The InChIKey is VMJUUQJQZHSISG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-3-15(9-8-12(16)14-2)11-7-5-4-6-10(11)13/h4-7H,3,8-9,13H2,1-2H3,(H,14,16).
What are the key properties of 3-(2-amino-N-ethylanilino)-N-methylpropanamide?
3-(2-amino-N-ethylanilino)-N-methylpropanamide has a molecular weight of 221.30 g/mol, XLogP of 1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-N-ethylanilino)-N-methylpropanamide is sourced from PubChem (CID 62324074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).