N-[2-[2-(4-aminophenyl)ethyl-methylamino]ethyl]-N-phenylpropanamide

C20H27N3O — CID 163964765

IUPACN-[2-[2-(4-aminophenyl)ethyl-methylamino]ethyl]-N-phenylpropanamide
SMILESCCC(=O)N(CCN(C)CCc1ccc(N)cc1)c1ccccc1
InChIInChI=1S/C20H27N3O/c1-3-20(24)23(19-7-5-4-6-8-19)16-15-22(2)14-13-17-9-11-18(21)12-10-17/h4-12H,3,13-16,21H2,1-2H3
InChIKeySKRXHEIAOUOZKH-UHFFFAOYSA-N
MW325.46 g/mol
LogP3.19
Rot. Bonds8

About N-[2-[2-(4-aminophenyl)ethyl-methylamino]ethyl]-N-phenylpropanamide

N-[2-[2-(4-aminophenyl)ethyl-methylamino]ethyl]-N-phenylpropanamide (PubChem CID 163964765) has the molecular formula C20H27N3O and a molecular weight of 325.46 g/mol. Its IUPAC name is N-[2-[2-(4-aminophenyl)ethyl-methylamino]ethyl]-N-phenylpropanamide.

Molecular Properties

Compound NameN-[2-[2-(4-aminophenyl)ethyl-methylamino]ethyl]-N-phenylpropanamide
PubChem CID163964765
Molecular FormulaC20H27N3O
Molecular Weight325.46 g/mol
Exact Mass325.22
IUPAC NameN-[2-[2-(4-aminophenyl)ethyl-methylamino]ethyl]-N-phenylpropanamide
SMILESCCC(=O)N(CCN(C)CCc1ccc(N)cc1)c1ccccc1
InChIInChI=1S/C20H27N3O/c1-3-20(24)23(19-7-5-4-6-8-19)16-15-22(2)14-13-17-9-11-18(21)12-10-17/h4-12H,3,13-16,21H2,1-2H3
InChIKeySKRXHEIAOUOZKH-UHFFFAOYSA-N
XLogP3.19
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 53.19
H-Bond Donors ≤ 51
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

N-phenyl-N-(3-phenylpropyl)propanamide
CID 178077722
2-(4-aminophenyl)-N-butyl-N-phenylacetamide;hydrochloride
CID 119679254
N-[4-[methyl(2-phenylethyl)amino]butan-2-yl]-N-phenylpropanamide
CID 11724725
4-[2-[hexyl(methyl)amino]ethyl]aniline
CID 89126369
4-[[2-(4-ethylphenyl)ethyl-methylamino]methyl]aniline
CID 115212571
N-(4-aminophenyl)-2-[methyl(2-phenylethyl)amino]acetamide
CID 65482728
2-[2-[2-[2-[2-(4-aminophenyl)ethyl-(carboxymethyl)amino]ethyl-methylamino]ethoxy]ethyl-methylamino]acetic acid
CID 171399219
3-(4-butyl-N-propanoylanilino)propanoic acid
CID 82320587
N-phenyl-N-[2-[3-(2-phenylethyl)-1,3-diazinan-1-yl]ethyl]propanamide
CID 3060235
4-[3-[methyl(pentyl)amino]propyl]aniline
CID 113290597
N-(2-aminoethyl)-N-(2-phenylethyl)propanamide
CID 120884412
1-(4-aminophenyl)propan-1-one;N,N-dimethylaniline
CID 161301580

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-aminophenyl)ethyl-methylamino]ethyl]-N-phenylpropanamide?
The IUPAC name of N-[2-[2-(4-aminophenyl)ethyl-methylamino]ethyl]-N-phenylpropanamide (CID 163964765) is N-[2-[2-(4-aminophenyl)ethyl-methylamino]ethyl]-N-phenylpropanamide.
What is the SMILES notation for N-[2-[2-(4-aminophenyl)ethyl-methylamino]ethyl]-N-phenylpropanamide?
The canonical SMILES for N-[2-[2-(4-aminophenyl)ethyl-methylamino]ethyl]-N-phenylpropanamide is CCC(=O)N(CCN(C)CCc1ccc(N)cc1)c1ccccc1.
What is the InChIKey of N-[2-[2-(4-aminophenyl)ethyl-methylamino]ethyl]-N-phenylpropanamide?
The InChIKey is SKRXHEIAOUOZKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O/c1-3-20(24)23(19-7-5-4-6-8-19)16-15-22(2)14-13-17-9-11-18(21)12-10-17/h4-12H,3,13-16,21H2,1-2H3.
What are the key properties of N-[2-[2-(4-aminophenyl)ethyl-methylamino]ethyl]-N-phenylpropanamide?
N-[2-[2-(4-aminophenyl)ethyl-methylamino]ethyl]-N-phenylpropanamide has a molecular weight of 325.46 g/mol, XLogP of 3.19, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-aminophenyl)ethyl-methylamino]ethyl]-N-phenylpropanamide is sourced from PubChem (CID 163964765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).