2-[(4-aminophenyl)methyl-ethylamino]-N-ethylpropanamide

C14H23N3O — CID 43383877

IUPAC2-[(4-aminophenyl)methyl-ethylamino]-N-ethylpropanamide
SMILESCCNC(=O)C(C)N(CC)Cc1ccc(N)cc1
InChIInChI=1S/C14H23N3O/c1-4-16-14(18)11(3)17(5-2)10-12-6-8-13(15)9-7-12/h6-9,11H,4-5,10,15H2,1-3H3,(H,16,18)
InChIKeyRUXXRXWLYGNSFF-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.62
Rot. Bonds6

About 2-[(4-aminophenyl)methyl-ethylamino]-N-ethylpropanamide

2-[(4-aminophenyl)methyl-ethylamino]-N-ethylpropanamide (PubChem CID 43383877) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 2-[(4-aminophenyl)methyl-ethylamino]-N-ethylpropanamide.

Molecular Properties

Compound Name2-[(4-aminophenyl)methyl-ethylamino]-N-ethylpropanamide
PubChem CID43383877
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name2-[(4-aminophenyl)methyl-ethylamino]-N-ethylpropanamide
SMILESCCNC(=O)C(C)N(CC)Cc1ccc(N)cc1
InChIInChI=1S/C14H23N3O/c1-4-16-14(18)11(3)17(5-2)10-12-6-8-13(15)9-7-12/h6-9,11H,4-5,10,15H2,1-3H3,(H,16,18)
InChIKeyRUXXRXWLYGNSFF-UHFFFAOYSA-N
XLogP1.62
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 ≤ 51.62
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-aminophenyl)methyl-ethylamino]-N-butylpropanamide
CID 43458901
2-[(4-aminophenyl)methyl-methylamino]-N-ethylpropanamide
CID 43458316
2-[(4-aminophenyl)methyl-propan-2-ylamino]-N-ethylpropanamide
CID 43460140
2-[2-aminoethyl(benzyl)amino]-N-ethylpropanamide
CID 54903541
2-[(4-aminophenyl)methyl-methylamino]-N-propylpropanamide
CID 43383798
2-[benzyl(2-hydroxyethyl)amino]-N-ethylpropanamide
CID 60685142
2-(4-amino-N-propylanilino)-N-ethylpropanamide
CID 63233950
2-[(4-aminophenyl)methyl-methylamino]-N-(2-methylpropyl)propanamide
CID 43458328
2-[(4-aminophenyl)methyl-propylamino]propanamide
CID 43459613
4-[[ethyl(pentan-2-yl)amino]methyl]aniline
CID 107891822
4-[[(4-aminophenyl)methyl-propan-2-ylamino]methyl]aniline
CID 59540436
2-[(4-aminophenyl)methyl-propan-2-ylamino]-N-(2-methylpropyl)acetamide
CID 43460081

Frequently Asked Questions

What is the IUPAC name of 2-[(4-aminophenyl)methyl-ethylamino]-N-ethylpropanamide?
The IUPAC name of 2-[(4-aminophenyl)methyl-ethylamino]-N-ethylpropanamide (CID 43383877) is 2-[(4-aminophenyl)methyl-ethylamino]-N-ethylpropanamide.
What is the SMILES notation for 2-[(4-aminophenyl)methyl-ethylamino]-N-ethylpropanamide?
The canonical SMILES for 2-[(4-aminophenyl)methyl-ethylamino]-N-ethylpropanamide is CCNC(=O)C(C)N(CC)Cc1ccc(N)cc1.
What is the InChIKey of 2-[(4-aminophenyl)methyl-ethylamino]-N-ethylpropanamide?
The InChIKey is RUXXRXWLYGNSFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-4-16-14(18)11(3)17(5-2)10-12-6-8-13(15)9-7-12/h6-9,11H,4-5,10,15H2,1-3H3,(H,16,18).
What are the key properties of 2-[(4-aminophenyl)methyl-ethylamino]-N-ethylpropanamide?
2-[(4-aminophenyl)methyl-ethylamino]-N-ethylpropanamide has a molecular weight of 249.36 g/mol, XLogP of 1.62, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-aminophenyl)methyl-ethylamino]-N-ethylpropanamide is sourced from PubChem (CID 43383877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).