3-(4-aminophenyl)-N-[2-(oxolan-2-yl)ethyl]propanamide

C15H22N2O2 — CID 61126143

IUPAC3-(4-aminophenyl)-N-[2-(oxolan-2-yl)ethyl]propanamide
SMILESNc1ccc(CCC(=O)NCCC2CCCO2)cc1
InChIInChI=1S/C15H22N2O2/c16-13-6-3-12(4-7-13)5-8-15(18)17-10-9-14-2-1-11-19-14/h3-4,6-7,14H,1-2,5,8-11,16H2,(H,17,18)
InChIKeyQCTKLMKFTDZYJN-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.89
Rot. Bonds6

About 3-(4-aminophenyl)-N-[2-(oxolan-2-yl)ethyl]propanamide

3-(4-aminophenyl)-N-[2-(oxolan-2-yl)ethyl]propanamide (PubChem CID 61126143) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 3-(4-aminophenyl)-N-[2-(oxolan-2-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-(4-aminophenyl)-N-[2-(oxolan-2-yl)ethyl]propanamide
PubChem CID61126143
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name3-(4-aminophenyl)-N-[2-(oxolan-2-yl)ethyl]propanamide
SMILESNc1ccc(CCC(=O)NCCC2CCCO2)cc1
InChIInChI=1S/C15H22N2O2/c16-13-6-3-12(4-7-13)5-8-15(18)17-10-9-14-2-1-11-19-14/h3-4,6-7,14H,1-2,5,8-11,16H2,(H,17,18)
InChIKeyQCTKLMKFTDZYJN-UHFFFAOYSA-N
XLogP1.89
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.89
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

4-amino-N-[2-(oxan-2-yl)ethyl]benzamide
CID 83633238
4-[3-(4-aminophenyl)propanoylamino]-N-(oxolan-2-ylmethyl)benzamide
CID 54795337
N-[2-[(2S)-oxan-2-yl]ethyl]-3-[5-(4-phenylbutyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 42414995
N-[2-[(2R)-oxolan-2-yl]ethyl]-2-(4-pyrrol-1-ylphenyl)acetamide
CID 94821980
5-amino-N-[2-(oxolan-2-yl)ethyl]-1-benzofuran-2-carboxamide
CID 61127124
3-amino-N-[2-(oxolan-2-yl)ethyl]benzamide
CID 54915842
3-(4-aminophenyl)-N-(cyclopentylmethyl)propanamide
CID 43371351
N-[2-(oxolan-2-yl)ethyl]-3-phenoxypropanamide
CID 75871156
3-(4-aminophenyl)-N-(cyclopropylmethyl)propanamide
CID 43309173
N'-[[(2S)-oxolan-2-yl]methyl]-N-(2-phenylethyl)butanediamide
CID 7303399
(2S)-2-amino-N-[2-(oxolan-2-yl)ethyl]-4-phenylbutanamide
CID 104984102
N-[2-(4-aminophenyl)ethyl]-2-(oxolan-2-ylmethoxy)propanamide
CID 119548783

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminophenyl)-N-[2-(oxolan-2-yl)ethyl]propanamide?
The IUPAC name of 3-(4-aminophenyl)-N-[2-(oxolan-2-yl)ethyl]propanamide (CID 61126143) is 3-(4-aminophenyl)-N-[2-(oxolan-2-yl)ethyl]propanamide.
What is the SMILES notation for 3-(4-aminophenyl)-N-[2-(oxolan-2-yl)ethyl]propanamide?
The canonical SMILES for 3-(4-aminophenyl)-N-[2-(oxolan-2-yl)ethyl]propanamide is Nc1ccc(CCC(=O)NCCC2CCCO2)cc1.
What is the InChIKey of 3-(4-aminophenyl)-N-[2-(oxolan-2-yl)ethyl]propanamide?
The InChIKey is QCTKLMKFTDZYJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c16-13-6-3-12(4-7-13)5-8-15(18)17-10-9-14-2-1-11-19-14/h3-4,6-7,14H,1-2,5,8-11,16H2,(H,17,18).
What are the key properties of 3-(4-aminophenyl)-N-[2-(oxolan-2-yl)ethyl]propanamide?
3-(4-aminophenyl)-N-[2-(oxolan-2-yl)ethyl]propanamide has a molecular weight of 262.35 g/mol, XLogP of 1.89, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminophenyl)-N-[2-(oxolan-2-yl)ethyl]propanamide is sourced from PubChem (CID 61126143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).