2-(azetidin-3-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide

C15H22N2O4 — CID 64609355

IUPAC2-(azetidin-3-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide
SMILESCOc1cc(OC)c(OC)cc1CNC(=O)CC1CNC1
InChIInChI=1S/C15H22N2O4/c1-19-12-6-14(21-3)13(20-2)5-11(12)9-17-15(18)4-10-7-16-8-10/h5-6,10,16H,4,7-9H2,1-3H3,(H,17,18)
InChIKeyMKSWLXKGPPNDBM-UHFFFAOYSA-N
MW294.35 g/mol
LogP0.94
Rot. Bonds7

About 2-(azetidin-3-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide

2-(azetidin-3-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide (PubChem CID 64609355) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(azetidin-3-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide
PubChem CID64609355
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name2-(azetidin-3-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide
SMILESCOc1cc(OC)c(OC)cc1CNC(=O)CC1CNC1
InChIInChI=1S/C15H22N2O4/c1-19-12-6-14(21-3)13(20-2)5-11(12)9-17-15(18)4-10-7-16-8-10/h5-6,10,16H,4,7-9H2,1-3H3,(H,17,18)
InChIKeyMKSWLXKGPPNDBM-UHFFFAOYSA-N
XLogP0.94
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2,4,5-trimethoxyphenyl)methyl]azetidine
CID 16779967
2-amino-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide
CID 60672524
N-[(2,4-dimethoxyphenyl)methyl]-2-piperidin-4-ylacetamide
CID 63362840
3-bromo-N-[(2,4,5-trimethoxyphenyl)methyl]propanamide
CID 113385120
N-[2-oxo-2-[(2,4,5-trimethoxyphenyl)methylamino]ethyl]adamantane-1-carboxamide
CID 31340572
2-(4-methylpiperidin-1-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide
CID 8558421
1-cyclobutyl-N-[(2,4,5-trimethoxyphenyl)methyl]methanamine
CID 43298524
1-cyclopentyl-N-[(2,4,5-trimethoxyphenyl)methyl]methanamine
CID 43317257
2-[2-[[[2-(azetidin-3-yl)acetyl]amino]methyl]phenyl]acetic acid
CID 81318427
2-(4-aminophenyl)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide;hydrochloride
CID 119690607
2-(azetidin-3-yl)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]acetamide
CID 64609566
4-amino-3-methoxy-N-[(2,4,5-trimethoxyphenyl)methyl]butanamide
CID 120587250

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide?
The IUPAC name of 2-(azetidin-3-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide (CID 64609355) is 2-(azetidin-3-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-(azetidin-3-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-(azetidin-3-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide is COc1cc(OC)c(OC)cc1CNC(=O)CC1CNC1.
What is the InChIKey of 2-(azetidin-3-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide?
The InChIKey is MKSWLXKGPPNDBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-19-12-6-14(21-3)13(20-2)5-11(12)9-17-15(18)4-10-7-16-8-10/h5-6,10,16H,4,7-9H2,1-3H3,(H,17,18).
What are the key properties of 2-(azetidin-3-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide?
2-(azetidin-3-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide has a molecular weight of 294.35 g/mol, XLogP of 0.94, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide is sourced from PubChem (CID 64609355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).