2-(azetidin-3-yl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylpropanamide

C16H24N2O3 — CID 116676120

IUPAC2-(azetidin-3-yl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylpropanamide
SMILESCOc1ccc(CN(C)C(=O)C(C)C2CNC2)cc1OC
InChIInChI=1S/C16H24N2O3/c1-11(13-8-17-9-13)16(19)18(2)10-12-5-6-14(20-3)15(7-12)21-4/h5-7,11,13,17H,8-10H2,1-4H3
InChIKeyYYGCXLLHMRWVIJ-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.52
Rot. Bonds6

About 2-(azetidin-3-yl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylpropanamide

2-(azetidin-3-yl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylpropanamide (PubChem CID 116676120) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylpropanamide.

Molecular Properties

Compound Name2-(azetidin-3-yl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylpropanamide
PubChem CID116676120
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name2-(azetidin-3-yl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylpropanamide
SMILESCOc1ccc(CN(C)C(=O)C(C)C2CNC2)cc1OC
InChIInChI=1S/C16H24N2O3/c1-11(13-8-17-9-13)16(19)18(2)10-12-5-6-14(20-3)15(7-12)21-4/h5-7,11,13,17H,8-10H2,1-4H3
InChIKeyYYGCXLLHMRWVIJ-UHFFFAOYSA-N
XLogP1.52
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-N,2-dimethylpropanamide
CID 60628303
2-(azetidin-3-yl)-N-[(3-chlorophenyl)methyl]-N-methylpropanamide
CID 116676134
(2S)-2-amino-N-[(3,4-dimethoxyphenyl)methyl]-N,3-dimethylpentanamide
CID 61174257
(2S,3S)-2-amino-N-[(3,4-dimethoxyphenyl)methyl]-N,3-dimethylpentanamide
CID 61164051
N-[(4-hydroxy-3-methoxyphenyl)methyl]-N,2-dimethylpropanamide
CID 64592034
(2S)-N-[(3,4-dimethoxyphenyl)methyl]-2-(4-fluorophenoxy)-N-methylpropanamide
CID 31147863
2-amino-N-[(3,4-dimethoxyphenyl)methyl]-N-methylbutanediamide
CID 60937652
3-amino-N-[(3,4-dimethoxyphenyl)methyl]-2-methoxy-N-methylpropanamide
CID 106111912
(2R)-N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-phenylsulfanylpropanamide
CID 92683572
N-[(3,4-dimethoxyphenyl)methyl]-2-hydroxy-N-methylacetamide
CID 14117549
1-(azetidin-3-yl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylmethanamine
CID 115207629
N-[(3,4-dimethoxyphenyl)methyl]-3-(ethylamino)-N-methylbutanamide
CID 62837059

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylpropanamide?
The IUPAC name of 2-(azetidin-3-yl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylpropanamide (CID 116676120) is 2-(azetidin-3-yl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylpropanamide.
What is the SMILES notation for 2-(azetidin-3-yl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylpropanamide?
The canonical SMILES for 2-(azetidin-3-yl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylpropanamide is COc1ccc(CN(C)C(=O)C(C)C2CNC2)cc1OC.
What is the InChIKey of 2-(azetidin-3-yl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylpropanamide?
The InChIKey is YYGCXLLHMRWVIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-11(13-8-17-9-13)16(19)18(2)10-12-5-6-14(20-3)15(7-12)21-4/h5-7,11,13,17H,8-10H2,1-4H3.
What are the key properties of 2-(azetidin-3-yl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylpropanamide?
2-(azetidin-3-yl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylpropanamide has a molecular weight of 292.38 g/mol, XLogP of 1.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylpropanamide is sourced from PubChem (CID 116676120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).