2-methyl-N-[4-(oxolan-3-ylamino)phenyl]propanamide

C14H20N2O2 — CID 55200964

IUPAC2-methyl-N-[4-(oxolan-3-ylamino)phenyl]propanamide
SMILESCC(C)C(=O)Nc1ccc(NC2CCOC2)cc1
InChIInChI=1S/C14H20N2O2/c1-10(2)14(17)16-12-5-3-11(4-6-12)15-13-7-8-18-9-13/h3-6,10,13,15H,7-9H2,1-2H3,(H,16,17)
InChIKeyIWPHICJKZFXRDT-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.48
Rot. Bonds4

About 2-methyl-N-[4-(oxolan-3-ylamino)phenyl]propanamide

2-methyl-N-[4-(oxolan-3-ylamino)phenyl]propanamide (PubChem CID 55200964) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-methyl-N-[4-(oxolan-3-ylamino)phenyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[4-(oxolan-3-ylamino)phenyl]propanamide
PubChem CID55200964
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name2-methyl-N-[4-(oxolan-3-ylamino)phenyl]propanamide
SMILESCC(C)C(=O)Nc1ccc(NC2CCOC2)cc1
InChIInChI=1S/C14H20N2O2/c1-10(2)14(17)16-12-5-3-11(4-6-12)15-13-7-8-18-9-13/h3-6,10,13,15H,7-9H2,1-2H3,(H,16,17)
InChIKeyIWPHICJKZFXRDT-UHFFFAOYSA-N
XLogP2.48
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-[4-(oxolan-3-ylamino)phenyl]acetamide
CID 63335569
2-methyl-N-[4-(thiolan-3-ylamino)phenyl]propanamide
CID 43683733
N-[4-[(1-ethylpiperidin-4-yl)amino]phenyl]-2-methylpropanamide
CID 43683732
3-amino-N-[4-(oxan-4-ylamino)phenyl]butanamide
CID 119873635
N-[4-(oxan-4-ylamino)phenyl]propanamide
CID 43720580
N-cyclohexyl-4-propan-2-ylaniline;methane;N-(4-propan-2-ylphenyl)oxolan-3-amine
CID 157360031
N-[2-chloro-4-(oxolan-3-ylamino)phenyl]acetamide
CID 63331642
N-[4-(2-methylpropanoylamino)phenyl]morpholine-3-carboxamide;hydrochloride
CID 119685241
N-[4-[[1-(2,2-difluoroethyl)piperidin-4-yl]amino]phenyl]-2-methylpropanamide
CID 75476798
2-methyl-4-(oxolan-3-ylamino)benzoic acid
CID 81281891
N-(4-propylphenyl)oxolan-3-amine
CID 63331785
4-(oxolan-3-ylamino)benzenecarbothioamide
CID 80714281

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-(oxolan-3-ylamino)phenyl]propanamide?
The IUPAC name of 2-methyl-N-[4-(oxolan-3-ylamino)phenyl]propanamide (CID 55200964) is 2-methyl-N-[4-(oxolan-3-ylamino)phenyl]propanamide.
What is the SMILES notation for 2-methyl-N-[4-(oxolan-3-ylamino)phenyl]propanamide?
The canonical SMILES for 2-methyl-N-[4-(oxolan-3-ylamino)phenyl]propanamide is CC(C)C(=O)Nc1ccc(NC2CCOC2)cc1.
What is the InChIKey of 2-methyl-N-[4-(oxolan-3-ylamino)phenyl]propanamide?
The InChIKey is IWPHICJKZFXRDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-10(2)14(17)16-12-5-3-11(4-6-12)15-13-7-8-18-9-13/h3-6,10,13,15H,7-9H2,1-2H3,(H,16,17).
What are the key properties of 2-methyl-N-[4-(oxolan-3-ylamino)phenyl]propanamide?
2-methyl-N-[4-(oxolan-3-ylamino)phenyl]propanamide has a molecular weight of 248.33 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-(oxolan-3-ylamino)phenyl]propanamide is sourced from PubChem (CID 55200964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).