2-(3-aminophenyl)-N-(3-methyloxolan-3-yl)propanamide

C14H20N2O2 — CID 106591816

IUPAC2-(3-aminophenyl)-N-(3-methyloxolan-3-yl)propanamide
SMILESCC(C(=O)NC1(C)CCOC1)c1cccc(N)c1
InChIInChI=1S/C14H20N2O2/c1-10(11-4-3-5-12(15)8-11)13(17)16-14(2)6-7-18-9-14/h3-5,8,10H,6-7,9,15H2,1-2H3,(H,16,17)
InChIKeyYONXUZIBMKDOQY-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.67
Rot. Bonds3

About 2-(3-aminophenyl)-N-(3-methyloxolan-3-yl)propanamide

2-(3-aminophenyl)-N-(3-methyloxolan-3-yl)propanamide (PubChem CID 106591816) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-(3-aminophenyl)-N-(3-methyloxolan-3-yl)propanamide.

Molecular Properties

Compound Name2-(3-aminophenyl)-N-(3-methyloxolan-3-yl)propanamide
PubChem CID106591816
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name2-(3-aminophenyl)-N-(3-methyloxolan-3-yl)propanamide
SMILESCC(C(=O)NC1(C)CCOC1)c1cccc(N)c1
InChIInChI=1S/C14H20N2O2/c1-10(11-4-3-5-12(15)8-11)13(17)16-14(2)6-7-18-9-14/h3-5,8,10H,6-7,9,15H2,1-2H3,(H,16,17)
InChIKeyYONXUZIBMKDOQY-UHFFFAOYSA-N
XLogP1.67
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-aminophenyl)-N-(3-methylpentan-3-yl)acetamide
CID 106327807
2-(3-aminophenyl)-N-(1-methoxy-2-methylpropan-2-yl)acetamide
CID 116068447
2-(3-aminophenyl)-N-(2-methylpentan-2-yl)acetamide
CID 116078894
5-amino-2-fluoro-3-methyl-N-(3-methyloxolan-3-yl)benzamide
CID 103296839
3-amino-N-(2,3-dimethyloxolan-3-yl)-4-fluorobenzamide
CID 105656613
2-(3-aminophenyl)-N-[2-(2,2-difluoroethoxy)ethyl]propanamide
CID 105904064
2-(3-aminophenyl)-N-[2-(2,2-difluoroethoxy)ethyl]acetamide
CID 105904129
2-(3-aminophenyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]propanamide
CID 106591468
3-amino-2,5-difluoro-N-(3-methyloxolan-3-yl)benzamide
CID 107121435
4-amino-2-fluoro-N-(3-methyloxolan-3-yl)benzamide
CID 113481862
4-amino-3-fluoro-N-(3-methyloxolan-3-yl)benzamide
CID 113481867
5-amino-N-(2,3-dimethyloxolan-3-yl)-2-fluorobenzamide
CID 114095245

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenyl)-N-(3-methyloxolan-3-yl)propanamide?
The IUPAC name of 2-(3-aminophenyl)-N-(3-methyloxolan-3-yl)propanamide (CID 106591816) is 2-(3-aminophenyl)-N-(3-methyloxolan-3-yl)propanamide.
What is the SMILES notation for 2-(3-aminophenyl)-N-(3-methyloxolan-3-yl)propanamide?
The canonical SMILES for 2-(3-aminophenyl)-N-(3-methyloxolan-3-yl)propanamide is CC(C(=O)NC1(C)CCOC1)c1cccc(N)c1.
What is the InChIKey of 2-(3-aminophenyl)-N-(3-methyloxolan-3-yl)propanamide?
The InChIKey is YONXUZIBMKDOQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-10(11-4-3-5-12(15)8-11)13(17)16-14(2)6-7-18-9-14/h3-5,8,10H,6-7,9,15H2,1-2H3,(H,16,17).
What are the key properties of 2-(3-aminophenyl)-N-(3-methyloxolan-3-yl)propanamide?
2-(3-aminophenyl)-N-(3-methyloxolan-3-yl)propanamide has a molecular weight of 248.33 g/mol, XLogP of 1.67, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenyl)-N-(3-methyloxolan-3-yl)propanamide is sourced from PubChem (CID 106591816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).