3-(2-aminophenyl)-N-[3-(1-phenylethoxy)propyl]propanamide

C20H26N2O2 — CID 120608327

IUPAC3-(2-aminophenyl)-N-[3-(1-phenylethoxy)propyl]propanamide
SMILESCC(OCCCNC(=O)CCc1ccccc1N)c1ccccc1
InChIInChI=1S/C20H26N2O2/c1-16(17-8-3-2-4-9-17)24-15-7-14-22-20(23)13-12-18-10-5-6-11-19(18)21/h2-6,8-11,16H,7,12-15,21H2,1H3,(H,22,23)
InChIKeyGHGHHTJTEJJHKH-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.49
Rot. Bonds9

About 3-(2-aminophenyl)-N-[3-(1-phenylethoxy)propyl]propanamide

3-(2-aminophenyl)-N-[3-(1-phenylethoxy)propyl]propanamide (PubChem CID 120608327) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 3-(2-aminophenyl)-N-[3-(1-phenylethoxy)propyl]propanamide.

Molecular Properties

Compound Name3-(2-aminophenyl)-N-[3-(1-phenylethoxy)propyl]propanamide
PubChem CID120608327
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name3-(2-aminophenyl)-N-[3-(1-phenylethoxy)propyl]propanamide
SMILESCC(OCCCNC(=O)CCc1ccccc1N)c1ccccc1
InChIInChI=1S/C20H26N2O2/c1-16(17-8-3-2-4-9-17)24-15-7-14-22-20(23)13-12-18-10-5-6-11-19(18)21/h2-6,8-11,16H,7,12-15,21H2,1H3,(H,22,23)
InChIKeyGHGHHTJTEJJHKH-UHFFFAOYSA-N
XLogP3.49
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(2-aminophenyl)-N-(3-propan-2-yloxypropyl)propanamide
CID 107272988
3-(2-aminophenyl)-N-(3-phenoxypropyl)propanamide;hydrochloride
CID 120608352
3-(3-methoxyphenyl)-N-[3-(1-phenylethoxy)propyl]propanamide
CID 134039850
2-(methylamino)-N-[3-(1-phenylethoxy)propyl]acetamide;hydrochloride
CID 119693834
N-(3-acetamidopropyl)-3-(2-aminophenyl)propanamide;hydrochloride
CID 120609121
3-(2-aminophenyl)-N-(4-ethoxybutyl)propanamide;hydrochloride
CID 120609020
3-(2-aminophenyl)-N-[2-(2-propan-2-ylphenoxy)ethyl]propanamide;hydrochloride
CID 120610734
3-(2-aminophenyl)-N-(5-phenylpentyl)propanamide
CID 120610401
1-phenylethyl 3-(2-aminophenyl)propanoate
CID 107273888
2-amino-2-(4-methylphenyl)-N-[3-(1-phenylethoxy)propyl]acetamide
CID 120666814
3-(4-methoxyphenyl)sulfanyl-N-[3-(1-phenylethoxy)propyl]propanamide
CID 55536116
2-amino-3-phenyl-N-[3-(1-phenylethoxy)propyl]propanamide;hydrochloride
CID 119273566

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-N-[3-(1-phenylethoxy)propyl]propanamide?
The IUPAC name of 3-(2-aminophenyl)-N-[3-(1-phenylethoxy)propyl]propanamide (CID 120608327) is 3-(2-aminophenyl)-N-[3-(1-phenylethoxy)propyl]propanamide.
What is the SMILES notation for 3-(2-aminophenyl)-N-[3-(1-phenylethoxy)propyl]propanamide?
The canonical SMILES for 3-(2-aminophenyl)-N-[3-(1-phenylethoxy)propyl]propanamide is CC(OCCCNC(=O)CCc1ccccc1N)c1ccccc1.
What is the InChIKey of 3-(2-aminophenyl)-N-[3-(1-phenylethoxy)propyl]propanamide?
The InChIKey is GHGHHTJTEJJHKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-16(17-8-3-2-4-9-17)24-15-7-14-22-20(23)13-12-18-10-5-6-11-19(18)21/h2-6,8-11,16H,7,12-15,21H2,1H3,(H,22,23).
What are the key properties of 3-(2-aminophenyl)-N-[3-(1-phenylethoxy)propyl]propanamide?
3-(2-aminophenyl)-N-[3-(1-phenylethoxy)propyl]propanamide has a molecular weight of 326.44 g/mol, XLogP of 3.49, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)-N-[3-(1-phenylethoxy)propyl]propanamide is sourced from PubChem (CID 120608327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).