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

C16H24N2O3 — CID 119712739

IUPAC2-methyl-3-(methylamino)-N-[4-(oxolan-2-ylmethoxy)phenyl]propanamide
SMILESCNCC(C)C(=O)Nc1ccc(OCC2CCCO2)cc1
InChIInChI=1S/C16H24N2O3/c1-12(10-17-2)16(19)18-13-5-7-14(8-6-13)21-11-15-4-3-9-20-15/h5-8,12,15,17H,3-4,9-11H2,1-2H3,(H,18,19)
InChIKeyFFDQIQXESZPKKV-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.04
Rot. Bonds7

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

2-methyl-3-(methylamino)-N-[4-(oxolan-2-ylmethoxy)phenyl]propanamide (PubChem CID 119712739) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-methyl-3-(methylamino)-N-[4-(oxolan-2-ylmethoxy)phenyl]propanamide.

Molecular Properties

Compound Name2-methyl-3-(methylamino)-N-[4-(oxolan-2-ylmethoxy)phenyl]propanamide
PubChem CID119712739
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name2-methyl-3-(methylamino)-N-[4-(oxolan-2-ylmethoxy)phenyl]propanamide
SMILESCNCC(C)C(=O)Nc1ccc(OCC2CCCO2)cc1
InChIInChI=1S/C16H24N2O3/c1-12(10-17-2)16(19)18-13-5-7-14(8-6-13)21-11-15-4-3-9-20-15/h5-8,12,15,17H,3-4,9-11H2,1-2H3,(H,18,19)
InChIKeyFFDQIQXESZPKKV-UHFFFAOYSA-N
XLogP2.04
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1,3-bis[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]urea
CID 41436663
2-amino-3-methyl-N-[4-(oxolan-2-ylmethoxy)phenyl]pentanamide;hydrochloride
CID 119712748
[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 4-[[(2R)-oxolan-2-yl]methoxy]benzoate
CID 7445362
2-amino-3-methoxy-N-[4-(oxolan-2-ylmethoxy)phenyl]propanamide
CID 120986481
2-methyl-3-(methylamino)-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]propanamide;hydrochloride
CID 119701973
4-amino-N-[4-(oxolan-2-ylmethoxy)phenyl]pentanamide
CID 120559985
methyl 4-[[4-(oxolan-2-ylmethoxy)benzoyl]amino]benzoate
CID 17222269
N-(4-acetamidophenyl)-4-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 40642293
N-methyl-4-(oxolan-2-ylmethoxy)aniline
CID 54803460
(2S)-2-(4-nitrophenoxy)-N-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]propanamide
CID 9295896
(2R)-2-(2-chlorophenoxy)-N-[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]propanamide
CID 9295727
N-[4-(oxolan-2-ylmethoxy)phenyl]cyclobutanecarboxamide
CID 47251152

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(methylamino)-N-[4-(oxolan-2-ylmethoxy)phenyl]propanamide?
The IUPAC name of 2-methyl-3-(methylamino)-N-[4-(oxolan-2-ylmethoxy)phenyl]propanamide (CID 119712739) is 2-methyl-3-(methylamino)-N-[4-(oxolan-2-ylmethoxy)phenyl]propanamide.
What is the SMILES notation for 2-methyl-3-(methylamino)-N-[4-(oxolan-2-ylmethoxy)phenyl]propanamide?
The canonical SMILES for 2-methyl-3-(methylamino)-N-[4-(oxolan-2-ylmethoxy)phenyl]propanamide is CNCC(C)C(=O)Nc1ccc(OCC2CCCO2)cc1.
What is the InChIKey of 2-methyl-3-(methylamino)-N-[4-(oxolan-2-ylmethoxy)phenyl]propanamide?
The InChIKey is FFDQIQXESZPKKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-12(10-17-2)16(19)18-13-5-7-14(8-6-13)21-11-15-4-3-9-20-15/h5-8,12,15,17H,3-4,9-11H2,1-2H3,(H,18,19).
What are the key properties of 2-methyl-3-(methylamino)-N-[4-(oxolan-2-ylmethoxy)phenyl]propanamide?
2-methyl-3-(methylamino)-N-[4-(oxolan-2-ylmethoxy)phenyl]propanamide has a molecular weight of 292.38 g/mol, XLogP of 2.04, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(methylamino)-N-[4-(oxolan-2-ylmethoxy)phenyl]propanamide is sourced from PubChem (CID 119712739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).