N-(1-benzylazetidin-3-yl)-N-methylacetamide

C13H18N2O — CID 141369183

IUPACN-(1-benzylazetidin-3-yl)-N-methylacetamide
SMILESCC(=O)N(C)C1CN(Cc2ccccc2)C1
InChIInChI=1S/C13H18N2O/c1-11(16)14(2)13-9-15(10-13)8-12-6-4-3-5-7-12/h3-7,13H,8-10H2,1-2H3
InChIKeySPPQSJRKMPOYID-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.35
Rot. Bonds3

About N-(1-benzylazetidin-3-yl)-N-methylacetamide

N-(1-benzylazetidin-3-yl)-N-methylacetamide (PubChem CID 141369183) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is N-(1-benzylazetidin-3-yl)-N-methylacetamide.

Molecular Properties

Compound NameN-(1-benzylazetidin-3-yl)-N-methylacetamide
PubChem CID141369183
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC NameN-(1-benzylazetidin-3-yl)-N-methylacetamide
SMILESCC(=O)N(C)C1CN(Cc2ccccc2)C1
InChIInChI=1S/C13H18N2O/c1-11(16)14(2)13-9-15(10-13)8-12-6-4-3-5-7-12/h3-7,13H,8-10H2,1-2H3
InChIKeySPPQSJRKMPOYID-UHFFFAOYSA-N
XLogP1.35
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-N,N-dimethylazetidin-3-amine
CID 53414031
4-[[3-[benzyl(methyl)amino]azetidin-1-yl]methyl]benzoic acid
CID 122035291
N-(1-benzylpiperidin-4-yl)-N-methylcarbamoyl chloride
CID 82379735
1-(1-benzylazetidin-3-yl)-3-[4-(3,5-difluorophenyl)phenyl]-1-methylurea
CID 20782225
1-benzylazepane-3,4,5,6-tetrol
CID 18417354
(3S,4R,5R,6S)-1-benzylazepane-3,4,5,6-tetrol
CID 10824756
(2S)-2-amino-N-(1-benzylpiperidin-4-yl)-N-methyl-3-phenylpropanamide;dihydrochloride
CID 119878253
N-(1-benzylpyrrolidin-3-yl)-3,3-difluoro-N-methylcyclobutane-1-carboxamide
CID 136515164
(3S,5S)-1-benzyl-4-chloro-3,5-dimethylpiperidine
CID 97176894
[5-[4-[[3-[acetyl(methyl)amino]azetidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]carbamic acid
CID 90106584
(1-benzyl-4-hydroxypyrrolidin-3-yl) acetate
CID 139629969
2-[[(3R)-1-benzylpyrrolidin-3-yl]-methylamino]ethanol
CID 66565025

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylazetidin-3-yl)-N-methylacetamide?
The IUPAC name of N-(1-benzylazetidin-3-yl)-N-methylacetamide (CID 141369183) is N-(1-benzylazetidin-3-yl)-N-methylacetamide.
What is the SMILES notation for N-(1-benzylazetidin-3-yl)-N-methylacetamide?
The canonical SMILES for N-(1-benzylazetidin-3-yl)-N-methylacetamide is CC(=O)N(C)C1CN(Cc2ccccc2)C1.
What is the InChIKey of N-(1-benzylazetidin-3-yl)-N-methylacetamide?
The InChIKey is SPPQSJRKMPOYID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-11(16)14(2)13-9-15(10-13)8-12-6-4-3-5-7-12/h3-7,13H,8-10H2,1-2H3.
What are the key properties of N-(1-benzylazetidin-3-yl)-N-methylacetamide?
N-(1-benzylazetidin-3-yl)-N-methylacetamide has a molecular weight of 218.30 g/mol, XLogP of 1.35, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylazetidin-3-yl)-N-methylacetamide is sourced from PubChem (CID 141369183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).