2-(azetidin-3-yl)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]acetamide

C15H23N3O — CID 64609566

IUPAC2-(azetidin-3-yl)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]acetamide
SMILESCN(C)Cc1ccccc1CNC(=O)CC1CNC1
InChIInChI=1S/C15H23N3O/c1-18(2)11-14-6-4-3-5-13(14)10-17-15(19)7-12-8-16-9-12/h3-6,12,16H,7-11H2,1-2H3,(H,17,19)
InChIKeyILQPQKCCXCSSKJ-UHFFFAOYSA-N
MW261.37 g/mol
LogP0.97
Rot. Bonds6

About 2-(azetidin-3-yl)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]acetamide

2-(azetidin-3-yl)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]acetamide (PubChem CID 64609566) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(azetidin-3-yl)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]acetamide
PubChem CID64609566
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name2-(azetidin-3-yl)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]acetamide
SMILESCN(C)Cc1ccccc1CNC(=O)CC1CNC1
InChIInChI=1S/C15H23N3O/c1-18(2)11-14-6-4-3-5-13(14)10-17-15(19)7-12-8-16-9-12/h3-6,12,16H,7-11H2,1-2H3,(H,17,19)
InChIKeyILQPQKCCXCSSKJ-UHFFFAOYSA-N
XLogP0.97
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[[[2-(azetidin-3-yl)acetyl]amino]methyl]phenyl]acetic acid
CID 81318427
2-amino-N-[[2-[(dimethylamino)methyl]phenyl]methyl]acetamide;dihydrochloride
CID 119835483
3-amino-N-[[2-[(dimethylamino)methyl]phenyl]methyl]propanamide
CID 61258455
N-[2-[[2-[(dimethylamino)methyl]phenyl]methylamino]-2-oxoethyl]-2,2-dimethylpropanamide
CID 31563060
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-(2-methoxyethylamino)acetamide
CID 79282538
4-amino-N-[[2-[(dimethylamino)methyl]phenyl]methyl]butanamide
CID 61260959
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]acetamide;dihydrochloride
CID 119861643
2-(azetidin-3-yl)-N-[(3-ethyl-2-pyridinyl)methyl]acetamide
CID 82738136
2-(azetidin-3-yl)-N-[2-(benzylamino)-2-oxoethyl]acetamide
CID 64609544
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 9451688
5-[[2-[(dimethylamino)methyl]phenyl]methylamino]-3-methyl-5-oxopentanoic acid
CID 62964535
N-[[2-(aminomethyl)phenyl]methyl]-2-cyclopropylacetamide
CID 62952151

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]acetamide?
The IUPAC name of 2-(azetidin-3-yl)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]acetamide (CID 64609566) is 2-(azetidin-3-yl)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]acetamide.
What is the SMILES notation for 2-(azetidin-3-yl)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]acetamide?
The canonical SMILES for 2-(azetidin-3-yl)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]acetamide is CN(C)Cc1ccccc1CNC(=O)CC1CNC1.
What is the InChIKey of 2-(azetidin-3-yl)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]acetamide?
The InChIKey is ILQPQKCCXCSSKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-18(2)11-14-6-4-3-5-13(14)10-17-15(19)7-12-8-16-9-12/h3-6,12,16H,7-11H2,1-2H3,(H,17,19).
What are the key properties of 2-(azetidin-3-yl)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]acetamide?
2-(azetidin-3-yl)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]acetamide has a molecular weight of 261.37 g/mol, XLogP of 0.97, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]acetamide is sourced from PubChem (CID 64609566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).