2-[azetidin-3-yl(propyl)amino]-N-[(2-methoxyphenyl)methyl]acetamide

C16H25N3O2 — CID 66216510

IUPAC2-[azetidin-3-yl(propyl)amino]-N-[(2-methoxyphenyl)methyl]acetamide
SMILESCCCN(CC(=O)NCc1ccccc1OC)C1CNC1
InChIInChI=1S/C16H25N3O2/c1-3-8-19(14-10-17-11-14)12-16(20)18-9-13-6-4-5-7-15(13)21-2/h4-7,14,17H,3,8-12H2,1-2H3,(H,18,20)
InChIKeyVFPJKOVYGSFVLW-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.00
Rot. Bonds8

About 2-[azetidin-3-yl(propyl)amino]-N-[(2-methoxyphenyl)methyl]acetamide

2-[azetidin-3-yl(propyl)amino]-N-[(2-methoxyphenyl)methyl]acetamide (PubChem CID 66216510) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 2-[azetidin-3-yl(propyl)amino]-N-[(2-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[azetidin-3-yl(propyl)amino]-N-[(2-methoxyphenyl)methyl]acetamide
PubChem CID66216510
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name2-[azetidin-3-yl(propyl)amino]-N-[(2-methoxyphenyl)methyl]acetamide
SMILESCCCN(CC(=O)NCc1ccccc1OC)C1CNC1
InChIInChI=1S/C16H25N3O2/c1-3-8-19(14-10-17-11-14)12-16(20)18-9-13-6-4-5-7-15(13)21-2/h4-7,14,17H,3,8-12H2,1-2H3,(H,18,20)
InChIKeyVFPJKOVYGSFVLW-UHFFFAOYSA-N
XLogP1.00
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[azetidin-3-yl(propyl)amino]-N-(2-methoxyphenyl)acetamide
CID 66216109
2-[azetidin-3-yl(propyl)amino]-N-[(3-methoxyphenyl)methyl]acetamide
CID 66216515
N-[(2-methoxyphenyl)methyl]-2-[methyl(thian-4-yl)amino]acetamide
CID 91829099
2-[cyclopropyl(methylsulfonyl)amino]-N-[(2-methoxyphenyl)methyl]acetamide
CID 113147875
3-[butyl(methyl)amino]-N-[(2-methoxyphenyl)methyl]propanamide
CID 109021987
N-(azetidin-3-yl)-2-(2-methoxyphenyl)-N-methylacetamide
CID 66188008
3-[acetyl(cyclopentyl)amino]-N-[(2-methoxyphenyl)methyl]propanamide
CID 113116340
2-[2-hydroxypropyl(methyl)amino]-N-[(2-methoxyphenyl)methyl]acetamide
CID 62334688
2-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 808183
2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N-[(2-methoxyphenyl)methyl]acetamide
CID 78963113
N-[(2-methoxyphenyl)methyl]-3-[methyl-(1-methylpiperidin-4-yl)amino]propanamide
CID 110838955
ethyl N-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]carbamate
CID 112992730

Frequently Asked Questions

What is the IUPAC name of 2-[azetidin-3-yl(propyl)amino]-N-[(2-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-[azetidin-3-yl(propyl)amino]-N-[(2-methoxyphenyl)methyl]acetamide (CID 66216510) is 2-[azetidin-3-yl(propyl)amino]-N-[(2-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-[azetidin-3-yl(propyl)amino]-N-[(2-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-[azetidin-3-yl(propyl)amino]-N-[(2-methoxyphenyl)methyl]acetamide is CCCN(CC(=O)NCc1ccccc1OC)C1CNC1.
What is the InChIKey of 2-[azetidin-3-yl(propyl)amino]-N-[(2-methoxyphenyl)methyl]acetamide?
The InChIKey is VFPJKOVYGSFVLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-3-8-19(14-10-17-11-14)12-16(20)18-9-13-6-4-5-7-15(13)21-2/h4-7,14,17H,3,8-12H2,1-2H3,(H,18,20).
What are the key properties of 2-[azetidin-3-yl(propyl)amino]-N-[(2-methoxyphenyl)methyl]acetamide?
2-[azetidin-3-yl(propyl)amino]-N-[(2-methoxyphenyl)methyl]acetamide has a molecular weight of 291.39 g/mol, XLogP of 1.00, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[azetidin-3-yl(propyl)amino]-N-[(2-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 66216510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).