3-(2-aminophenyl)-N-(oxolan-3-yl)-N-(2-phenylethyl)propanamide

C21H26N2O2 — CID 120611849

IUPAC3-(2-aminophenyl)-N-(oxolan-3-yl)-N-(2-phenylethyl)propanamide
SMILESNc1ccccc1CCC(=O)N(CCc1ccccc1)C1CCOC1
InChIInChI=1S/C21H26N2O2/c22-20-9-5-4-8-18(20)10-11-21(24)23(19-13-15-25-16-19)14-12-17-6-2-1-3-7-17/h1-9,19H,10-16,22H2
InChIKeyAQYAEZUAIZNWHX-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.06
Rot. Bonds7

About 3-(2-aminophenyl)-N-(oxolan-3-yl)-N-(2-phenylethyl)propanamide

3-(2-aminophenyl)-N-(oxolan-3-yl)-N-(2-phenylethyl)propanamide (PubChem CID 120611849) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 3-(2-aminophenyl)-N-(oxolan-3-yl)-N-(2-phenylethyl)propanamide.

Molecular Properties

Compound Name3-(2-aminophenyl)-N-(oxolan-3-yl)-N-(2-phenylethyl)propanamide
PubChem CID120611849
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name3-(2-aminophenyl)-N-(oxolan-3-yl)-N-(2-phenylethyl)propanamide
SMILESNc1ccccc1CCC(=O)N(CCc1ccccc1)C1CCOC1
InChIInChI=1S/C21H26N2O2/c22-20-9-5-4-8-18(20)10-11-21(24)23(19-13-15-25-16-19)14-12-17-6-2-1-3-7-17/h1-9,19H,10-16,22H2
InChIKeyAQYAEZUAIZNWHX-UHFFFAOYSA-N
XLogP3.06
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(3R)-oxolan-3-yl]-N-(2-phenylethyl)cyclopropanecarboxamide
CID 97015367
3-(2-aminophenyl)-N-cyclopentyl-N-[2-(3-fluorophenyl)ethyl]propanamide;hydrochloride
CID 120611880
2-(2H-indazol-3-yl)-N-(oxolan-3-yl)-N-(2-phenylethyl)acetamide
CID 71923006
3-amino-N-(oxolan-3-yl)-N-(2-phenylethyl)cyclopentane-1-carboxamide;hydrochloride
CID 119820576
N-[2-(2-aminophenyl)ethyl]-N-methyloxolan-3-amine
CID 82732197
3-(2-aminophenyl)-N-cyclopentyl-N-ethylpropanamide
CID 43541570
4-[[oxolan-3-yl(2-phenylethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 122024406
3-(2-aminophenyl)-N-cyclopropyl-N-[(4-ethylphenyl)methyl]propanamide
CID 120608816
N-(oxan-4-yl)-4-phenyl-N-(2-thiophen-2-ylethyl)butanamide
CID 90611027
3-(2-aminophenyl)-N-[(3-bromophenyl)methyl]-N-cyclopropylpropanamide;hydrochloride
CID 120608805
3-(2-aminophenyl)-N-cyclopropyl-N-(thiophen-3-ylmethyl)propanamide
CID 107272972
N-cyclopentyl-N-(2-phenylethyl)butanamide
CID 78853681

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-N-(oxolan-3-yl)-N-(2-phenylethyl)propanamide?
The IUPAC name of 3-(2-aminophenyl)-N-(oxolan-3-yl)-N-(2-phenylethyl)propanamide (CID 120611849) is 3-(2-aminophenyl)-N-(oxolan-3-yl)-N-(2-phenylethyl)propanamide.
What is the SMILES notation for 3-(2-aminophenyl)-N-(oxolan-3-yl)-N-(2-phenylethyl)propanamide?
The canonical SMILES for 3-(2-aminophenyl)-N-(oxolan-3-yl)-N-(2-phenylethyl)propanamide is Nc1ccccc1CCC(=O)N(CCc1ccccc1)C1CCOC1.
What is the InChIKey of 3-(2-aminophenyl)-N-(oxolan-3-yl)-N-(2-phenylethyl)propanamide?
The InChIKey is AQYAEZUAIZNWHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c22-20-9-5-4-8-18(20)10-11-21(24)23(19-13-15-25-16-19)14-12-17-6-2-1-3-7-17/h1-9,19H,10-16,22H2.
What are the key properties of 3-(2-aminophenyl)-N-(oxolan-3-yl)-N-(2-phenylethyl)propanamide?
3-(2-aminophenyl)-N-(oxolan-3-yl)-N-(2-phenylethyl)propanamide has a molecular weight of 338.45 g/mol, XLogP of 3.06, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)-N-(oxolan-3-yl)-N-(2-phenylethyl)propanamide is sourced from PubChem (CID 120611849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).