2-(1-benzylazetidin-3-yl)acetamide

C12H16N2O — CID 67172961

IUPAC2-(1-benzylazetidin-3-yl)acetamide
SMILESNC(=O)CC1CN(Cc2ccccc2)C1
InChIInChI=1S/C12H16N2O/c13-12(15)6-11-8-14(9-11)7-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H2,13,15)
InChIKeyIYURAVJCCSWUHS-UHFFFAOYSA-N
MW204.27 g/mol
LogP0.99
Rot. Bonds4

About 2-(1-benzylazetidin-3-yl)acetamide

2-(1-benzylazetidin-3-yl)acetamide (PubChem CID 67172961) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 2-(1-benzylazetidin-3-yl)acetamide.

Molecular Properties

Compound Name2-(1-benzylazetidin-3-yl)acetamide
PubChem CID67172961
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name2-(1-benzylazetidin-3-yl)acetamide
SMILESNC(=O)CC1CN(Cc2ccccc2)C1
InChIInChI=1S/C12H16N2O/c13-12(15)6-11-8-14(9-11)7-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H2,13,15)
InChIKeyIYURAVJCCSWUHS-UHFFFAOYSA-N
XLogP0.99
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1-benzylazetidin-3-yl)propanal
CID 83908522
(1-benzylpyrrolidin-3-yl)methylurea
CID 119030980
(3S,4R)-1-benzyl-4-phenylpyrrolidine-3-carboxamide
CID 91662836
2-[(3R)-1-benzylpiperidin-3-yl]acetic acid
CID 86313785
(3R,4R)-4-amino-1-benzylpyrrolidine-3-carboxylic acid;hydrochloride
CID 67778714
1-benzylazepane-3,4,5,6-tetrol
CID 18417354
(3S,4R,5R,6S)-1-benzylazepane-3,4,5,6-tetrol
CID 10824756
(3S,4S)-N-(2-amino-2-oxoethyl)-1-benzyl-4-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 120963180
1-benzyl-4-phenylpyrrolidin-3-ol
CID 12044053
(1S,5S)-3-benzyl-3-azabicyclo[3.1.1]heptane-6-carboxylic acid
CID 98105075
2-[1-[(3-cyclopropylphenyl)methyl]azetidin-3-yl]acetic acid
CID 79978496
1-[(3aR,6aS)-2-benzyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-2-cyclopentylethanone
CID 136581394

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzylazetidin-3-yl)acetamide?
The IUPAC name of 2-(1-benzylazetidin-3-yl)acetamide (CID 67172961) is 2-(1-benzylazetidin-3-yl)acetamide.
What is the SMILES notation for 2-(1-benzylazetidin-3-yl)acetamide?
The canonical SMILES for 2-(1-benzylazetidin-3-yl)acetamide is NC(=O)CC1CN(Cc2ccccc2)C1.
What is the InChIKey of 2-(1-benzylazetidin-3-yl)acetamide?
The InChIKey is IYURAVJCCSWUHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c13-12(15)6-11-8-14(9-11)7-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H2,13,15).
What are the key properties of 2-(1-benzylazetidin-3-yl)acetamide?
2-(1-benzylazetidin-3-yl)acetamide has a molecular weight of 204.27 g/mol, XLogP of 0.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzylazetidin-3-yl)acetamide is sourced from PubChem (CID 67172961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).