N-[3-[1-(methylamino)ethyl]phenyl]-3-(oxolan-2-yl)propanamide

C16H24N2O2 — CID 65157052

IUPACN-[3-[1-(methylamino)ethyl]phenyl]-3-(oxolan-2-yl)propanamide
SMILESCNC(C)c1cccc(NC(=O)CCC2CCCO2)c1
InChIInChI=1S/C16H24N2O2/c1-12(17-2)13-5-3-6-14(11-13)18-16(19)9-8-15-7-4-10-20-15/h3,5-6,11-12,15,17H,4,7-10H2,1-2H3,(H,18,19)
InChIKeyJTSFWTKQDKSXEH-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.86
Rot. Bonds6

About N-[3-[1-(methylamino)ethyl]phenyl]-3-(oxolan-2-yl)propanamide

N-[3-[1-(methylamino)ethyl]phenyl]-3-(oxolan-2-yl)propanamide (PubChem CID 65157052) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-[3-[1-(methylamino)ethyl]phenyl]-3-(oxolan-2-yl)propanamide.

Molecular Properties

Compound NameN-[3-[1-(methylamino)ethyl]phenyl]-3-(oxolan-2-yl)propanamide
PubChem CID65157052
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-[3-[1-(methylamino)ethyl]phenyl]-3-(oxolan-2-yl)propanamide
SMILESCNC(C)c1cccc(NC(=O)CCC2CCCO2)c1
InChIInChI=1S/C16H24N2O2/c1-12(17-2)13-5-3-6-14(11-13)18-16(19)9-8-15-7-4-10-20-15/h3,5-6,11-12,15,17H,4,7-10H2,1-2H3,(H,18,19)
InChIKeyJTSFWTKQDKSXEH-UHFFFAOYSA-N
XLogP2.86
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(oxolan-2-yl)-N-[3-[1-(propylamino)ethyl]phenyl]acetamide
CID 65157098
N-(3-bromophenyl)-3-(oxan-2-yl)propanamide
CID 63939425
N-(3-chloro-4-methylphenyl)-3-(oxolan-2-yl)propanamide
CID 42956710
2-cyclobutyl-N-[3-[1-(methylamino)ethyl]phenyl]acetamide
CID 103162221
N-(3-nitrophenyl)-3-[(2S)-oxolan-2-yl]propanamide
CID 39095709
N-[3-(hydroxymethyl)phenyl]-3-(oxan-2-yl)propanamide
CID 63936119
3-(oxolan-2-yl)-N-[4-[(propan-2-ylamino)methyl]phenyl]propanamide
CID 106910402
1-[3-[1-(ethylamino)ethyl]phenyl]-3-(oxolan-2-ylmethyl)urea
CID 61341839
3-cyclopentyl-N-[3-[1-(ethylamino)ethyl]phenyl]propanamide
CID 43507838
N-[3-(azepan-1-ylsulfonyl)phenyl]-3-(oxolan-2-yl)propanamide
CID 55604794
N-[3-[methyl(phenyl)sulfamoyl]phenyl]-3-(oxolan-2-yl)propanamide
CID 55605086
N-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-3-(oxolan-2-yl)propanamide
CID 77057653

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-(methylamino)ethyl]phenyl]-3-(oxolan-2-yl)propanamide?
The IUPAC name of N-[3-[1-(methylamino)ethyl]phenyl]-3-(oxolan-2-yl)propanamide (CID 65157052) is N-[3-[1-(methylamino)ethyl]phenyl]-3-(oxolan-2-yl)propanamide.
What is the SMILES notation for N-[3-[1-(methylamino)ethyl]phenyl]-3-(oxolan-2-yl)propanamide?
The canonical SMILES for N-[3-[1-(methylamino)ethyl]phenyl]-3-(oxolan-2-yl)propanamide is CNC(C)c1cccc(NC(=O)CCC2CCCO2)c1.
What is the InChIKey of N-[3-[1-(methylamino)ethyl]phenyl]-3-(oxolan-2-yl)propanamide?
The InChIKey is JTSFWTKQDKSXEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-12(17-2)13-5-3-6-14(11-13)18-16(19)9-8-15-7-4-10-20-15/h3,5-6,11-12,15,17H,4,7-10H2,1-2H3,(H,18,19).
What are the key properties of N-[3-[1-(methylamino)ethyl]phenyl]-3-(oxolan-2-yl)propanamide?
N-[3-[1-(methylamino)ethyl]phenyl]-3-(oxolan-2-yl)propanamide has a molecular weight of 276.38 g/mol, XLogP of 2.86, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-(methylamino)ethyl]phenyl]-3-(oxolan-2-yl)propanamide is sourced from PubChem (CID 65157052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).