2-(4-amino-N-propylanilino)-N-ethylpropanamide

C14H23N3O — CID 63233950

IUPAC2-(4-amino-N-propylanilino)-N-ethylpropanamide
SMILESCCCN(c1ccc(N)cc1)C(C)C(=O)NCC
InChIInChI=1S/C14H23N3O/c1-4-10-17(11(3)14(18)16-5-2)13-8-6-12(15)7-9-13/h6-9,11H,4-5,10,15H2,1-3H3,(H,16,18)
InChIKeyZGOKLSLCIFKTFL-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.01
Rot. Bonds6

About 2-(4-amino-N-propylanilino)-N-ethylpropanamide

2-(4-amino-N-propylanilino)-N-ethylpropanamide (PubChem CID 63233950) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 2-(4-amino-N-propylanilino)-N-ethylpropanamide.

Molecular Properties

Compound Name2-(4-amino-N-propylanilino)-N-ethylpropanamide
PubChem CID63233950
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name2-(4-amino-N-propylanilino)-N-ethylpropanamide
SMILESCCCN(c1ccc(N)cc1)C(C)C(=O)NCC
InChIInChI=1S/C14H23N3O/c1-4-10-17(11(3)14(18)16-5-2)13-8-6-12(15)7-9-13/h6-9,11H,4-5,10,15H2,1-3H3,(H,16,18)
InChIKeyZGOKLSLCIFKTFL-UHFFFAOYSA-N
XLogP2.01
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[4-(aminomethyl)-N-propylanilino]-N-ethylpropanamide
CID 43275941
2-(4-amino-N-propylanilino)-N-(methylcarbamoyl)propanamide
CID 63233816
2-(4-amino-N-propylanilino)propanamide
CID 63233906
2-(4-amino-N-propylanilino)-N-cyclopentylpropanamide
CID 63233776
2-(4-amino-N-propylanilino)-1-pyrrolidin-1-ylpropan-1-one
CID 63233777
1-(4-aminophenyl)-3-ethyl-1-propylurea
CID 63234160
2-[(4-aminophenyl)methyl-methylamino]-N-ethylpropanamide
CID 43458316
2-[(4-aminophenyl)methyl-ethylamino]-N-ethylpropanamide
CID 43383877
2-[(4-aminophenyl)methyl-propan-2-ylamino]-N-ethylpropanamide
CID 43460140
4-N,4-N-dimethylbenzene-1,4-diamine;ethylcarbamothioic S-acid
CID 88654343
2-[N-(3-aminopropyl)-3-fluoroanilino]-N-ethylpropanamide
CID 43319058
(2R)-2-(4-ethyl-N-propylanilino)propanoic acid
CID 125045091

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-N-propylanilino)-N-ethylpropanamide?
The IUPAC name of 2-(4-amino-N-propylanilino)-N-ethylpropanamide (CID 63233950) is 2-(4-amino-N-propylanilino)-N-ethylpropanamide.
What is the SMILES notation for 2-(4-amino-N-propylanilino)-N-ethylpropanamide?
The canonical SMILES for 2-(4-amino-N-propylanilino)-N-ethylpropanamide is CCCN(c1ccc(N)cc1)C(C)C(=O)NCC.
What is the InChIKey of 2-(4-amino-N-propylanilino)-N-ethylpropanamide?
The InChIKey is ZGOKLSLCIFKTFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-4-10-17(11(3)14(18)16-5-2)13-8-6-12(15)7-9-13/h6-9,11H,4-5,10,15H2,1-3H3,(H,16,18).
What are the key properties of 2-(4-amino-N-propylanilino)-N-ethylpropanamide?
2-(4-amino-N-propylanilino)-N-ethylpropanamide has a molecular weight of 249.36 g/mol, XLogP of 2.01, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-N-propylanilino)-N-ethylpropanamide is sourced from PubChem (CID 63233950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).