2-[4-(aminomethyl)-N-propylanilino]-N-ethylpropanamide

C15H25N3O — CID 43275941

IUPAC2-[4-(aminomethyl)-N-propylanilino]-N-ethylpropanamide
SMILESCCCN(c1ccc(CN)cc1)C(C)C(=O)NCC
InChIInChI=1S/C15H25N3O/c1-4-10-18(12(3)15(19)17-5-2)14-8-6-13(11-16)7-9-14/h6-9,12H,4-5,10-11,16H2,1-3H3,(H,17,19)
InChIKeyFHZBSBZTFORFQB-UHFFFAOYSA-N
MW263.38 g/mol
LogP1.89
Rot. Bonds7

About 2-[4-(aminomethyl)-N-propylanilino]-N-ethylpropanamide

2-[4-(aminomethyl)-N-propylanilino]-N-ethylpropanamide (PubChem CID 43275941) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-[4-(aminomethyl)-N-propylanilino]-N-ethylpropanamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)-N-propylanilino]-N-ethylpropanamide
PubChem CID43275941
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name2-[4-(aminomethyl)-N-propylanilino]-N-ethylpropanamide
SMILESCCCN(c1ccc(CN)cc1)C(C)C(=O)NCC
InChIInChI=1S/C15H25N3O/c1-4-10-18(12(3)15(19)17-5-2)14-8-6-13(11-16)7-9-14/h6-9,12H,4-5,10-11,16H2,1-3H3,(H,17,19)
InChIKeyFHZBSBZTFORFQB-UHFFFAOYSA-N
XLogP1.89
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

2-(4-amino-N-propylanilino)-N-ethylpropanamide
CID 63233950
2-[4-(aminomethyl)-N-propan-2-ylanilino]-N-propylpropanamide
CID 43276166
(2R)-2-(4-ethyl-N-propylanilino)propanoic acid
CID 125045091
2-(4-amino-N-propylanilino)-N-(methylcarbamoyl)propanamide
CID 63233816
2-[N-(3-aminopropyl)-3-fluoroanilino]-N-ethylpropanamide
CID 43319058
2-(4-amino-N-propylanilino)propanamide
CID 63233906
2-(4-amino-N-propylanilino)-N-cyclopentylpropanamide
CID 63233776
3-[4-(aminomethyl)-N-propan-2-ylanilino]-N-propan-2-ylpropanamide
CID 62624496
2-[2-aminoethyl(benzyl)amino]-N-ethylpropanamide
CID 54903541
N-[4-(aminomethyl)phenyl]-3-propoxy-N-propylpropanamide
CID 62688407
2-[(4-aminophenyl)methyl-methylamino]-N-ethylpropanamide
CID 43458316
N-[4-(aminomethyl)phenyl]-N,2-dipropylpentanamide
CID 82984391

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)-N-propylanilino]-N-ethylpropanamide?
The IUPAC name of 2-[4-(aminomethyl)-N-propylanilino]-N-ethylpropanamide (CID 43275941) is 2-[4-(aminomethyl)-N-propylanilino]-N-ethylpropanamide.
What is the SMILES notation for 2-[4-(aminomethyl)-N-propylanilino]-N-ethylpropanamide?
The canonical SMILES for 2-[4-(aminomethyl)-N-propylanilino]-N-ethylpropanamide is CCCN(c1ccc(CN)cc1)C(C)C(=O)NCC.
What is the InChIKey of 2-[4-(aminomethyl)-N-propylanilino]-N-ethylpropanamide?
The InChIKey is FHZBSBZTFORFQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-4-10-18(12(3)15(19)17-5-2)14-8-6-13(11-16)7-9-14/h6-9,12H,4-5,10-11,16H2,1-3H3,(H,17,19).
What are the key properties of 2-[4-(aminomethyl)-N-propylanilino]-N-ethylpropanamide?
2-[4-(aminomethyl)-N-propylanilino]-N-ethylpropanamide has a molecular weight of 263.38 g/mol, XLogP of 1.89, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)-N-propylanilino]-N-ethylpropanamide is sourced from PubChem (CID 43275941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).