3-(2-amino-N-propylanilino)-N-ethylpropanamide

C14H23N3O — CID 55174588

IUPAC3-(2-amino-N-propylanilino)-N-ethylpropanamide
SMILESCCCN(CCC(=O)NCC)c1ccccc1N
InChIInChI=1S/C14H23N3O/c1-3-10-17(11-9-14(18)16-4-2)13-8-6-5-7-12(13)15/h5-8H,3-4,9-11,15H2,1-2H3,(H,16,18)
InChIKeyBNZLKDOHFMOHKF-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.01
Rot. Bonds7

About 3-(2-amino-N-propylanilino)-N-ethylpropanamide

3-(2-amino-N-propylanilino)-N-ethylpropanamide (PubChem CID 55174588) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 3-(2-amino-N-propylanilino)-N-ethylpropanamide.

Molecular Properties

Compound Name3-(2-amino-N-propylanilino)-N-ethylpropanamide
PubChem CID55174588
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name3-(2-amino-N-propylanilino)-N-ethylpropanamide
SMILESCCCN(CCC(=O)NCC)c1ccccc1N
InChIInChI=1S/C14H23N3O/c1-3-10-17(11-9-14(18)16-4-2)13-8-6-5-7-12(13)15/h5-8H,3-4,9-11,15H2,1-2H3,(H,16,18)
InChIKeyBNZLKDOHFMOHKF-UHFFFAOYSA-N
XLogP2.01
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.01
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)propanoic acid
CID 63118513
3-(2-amino-N-ethylanilino)-N-methylpropanamide
CID 62324074
2-(2-amino-N-propylanilino)-N-butylacetamide
CID 63230533
3-[N-(3-aminopropyl)-2-fluoroanilino]-N-ethylpropanamide
CID 62326935
2-N-nonyl-2-N-propylbenzene-1,2-diamine
CID 63532032
2-(2-amino-N-propylanilino)-N-cyclohexylacetamide
CID 63230630
3-[2-amino-N-[3-(dimethylamino)propyl]anilino]propanoic acid
CID 114525625
2-N-(3-fluoropropyl)-2-N-propylbenzene-1,2-diamine
CID 81106111
3-[2-amino-N-(3-hydroxypropyl)anilino]propanoic acid
CID 63118484
N-(2-aminophenyl)-N-propylbutanamide
CID 63230657
propan-2-yl 2-(2-amino-N-propylanilino)acetate
CID 63230765
N-(2-aminophenyl)-N-propylbenzamide
CID 63230394

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-N-propylanilino)-N-ethylpropanamide?
The IUPAC name of 3-(2-amino-N-propylanilino)-N-ethylpropanamide (CID 55174588) is 3-(2-amino-N-propylanilino)-N-ethylpropanamide.
What is the SMILES notation for 3-(2-amino-N-propylanilino)-N-ethylpropanamide?
The canonical SMILES for 3-(2-amino-N-propylanilino)-N-ethylpropanamide is CCCN(CCC(=O)NCC)c1ccccc1N.
What is the InChIKey of 3-(2-amino-N-propylanilino)-N-ethylpropanamide?
The InChIKey is BNZLKDOHFMOHKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-3-10-17(11-9-14(18)16-4-2)13-8-6-5-7-12(13)15/h5-8H,3-4,9-11,15H2,1-2H3,(H,16,18).
What are the key properties of 3-(2-amino-N-propylanilino)-N-ethylpropanamide?
3-(2-amino-N-propylanilino)-N-ethylpropanamide has a molecular weight of 249.36 g/mol, XLogP of 2.01, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-N-propylanilino)-N-ethylpropanamide is sourced from PubChem (CID 55174588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).