N-[2-[azetidin-3-yl(methyl)amino]-2-oxoethyl]benzamide

C13H17N3O2 — CID 66185921

IUPACN-[2-[azetidin-3-yl(methyl)amino]-2-oxoethyl]benzamide
SMILESCN(C(=O)CNC(=O)c1ccccc1)C1CNC1
InChIInChI=1S/C13H17N3O2/c1-16(11-7-14-8-11)12(17)9-15-13(18)10-5-3-2-4-6-10/h2-6,11,14H,7-9H2,1H3,(H,15,18)
InChIKeyMQWQQVXEULEVCJ-UHFFFAOYSA-N
MW247.30 g/mol
LogP-0.15
Rot. Bonds4

About N-[2-[azetidin-3-yl(methyl)amino]-2-oxoethyl]benzamide

N-[2-[azetidin-3-yl(methyl)amino]-2-oxoethyl]benzamide (PubChem CID 66185921) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is N-[2-[azetidin-3-yl(methyl)amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-[2-[azetidin-3-yl(methyl)amino]-2-oxoethyl]benzamide
PubChem CID66185921
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC NameN-[2-[azetidin-3-yl(methyl)amino]-2-oxoethyl]benzamide
SMILESCN(C(=O)CNC(=O)c1ccccc1)C1CNC1
InChIInChI=1S/C13H17N3O2/c1-16(11-7-14-8-11)12(17)9-15-13(18)10-5-3-2-4-6-10/h2-6,11,14H,7-9H2,1H3,(H,15,18)
InChIKeyMQWQQVXEULEVCJ-UHFFFAOYSA-N
XLogP-0.15
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[methyl(piperidin-3-yl)amino]-2-oxoethyl]benzamide
CID 60807055
N-[2-[[2-[(1,1-dioxothian-4-yl)-methylamino]-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 71449009
N-[2-oxo-2-[propan-2-yl(pyrrolidin-3-yl)amino]ethyl]benzamide
CID 82177176
N-[2-(N-methylanilino)-2-oxoethyl]benzamide
CID 12674158
4-amino-N-[2-[cyclopentyl(methyl)amino]-2-oxoethyl]benzamide
CID 43213215
N-[2-[cyclobutyl(2-hydroxyethyl)amino]-2-oxoethyl]benzamide
CID 102684785
3-bromo-N-[2-[cycloheptyl(methyl)amino]-2-oxoethyl]benzamide
CID 78828352
3-bromo-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]benzamide
CID 51210719
N-[2-[methyl(pyrrolidin-3-yl)amino]-2-oxoethyl]thiophene-2-carboxamide
CID 119553083
N-[2-[(2-hydroxy-2-methylpropyl)-methylamino]-2-oxoethyl]benzamide
CID 79381250
N-methyl-2-[(2-phenoxyacetyl)amino]-N-pyrrolidin-3-ylacetamide
CID 119553064
N-[2-(N-ethylanilino)-2-oxoethyl]benzamide
CID 15890379

Frequently Asked Questions

What is the IUPAC name of N-[2-[azetidin-3-yl(methyl)amino]-2-oxoethyl]benzamide?
The IUPAC name of N-[2-[azetidin-3-yl(methyl)amino]-2-oxoethyl]benzamide (CID 66185921) is N-[2-[azetidin-3-yl(methyl)amino]-2-oxoethyl]benzamide.
What is the SMILES notation for N-[2-[azetidin-3-yl(methyl)amino]-2-oxoethyl]benzamide?
The canonical SMILES for N-[2-[azetidin-3-yl(methyl)amino]-2-oxoethyl]benzamide is CN(C(=O)CNC(=O)c1ccccc1)C1CNC1.
What is the InChIKey of N-[2-[azetidin-3-yl(methyl)amino]-2-oxoethyl]benzamide?
The InChIKey is MQWQQVXEULEVCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-16(11-7-14-8-11)12(17)9-15-13(18)10-5-3-2-4-6-10/h2-6,11,14H,7-9H2,1H3,(H,15,18).
What are the key properties of N-[2-[azetidin-3-yl(methyl)amino]-2-oxoethyl]benzamide?
N-[2-[azetidin-3-yl(methyl)amino]-2-oxoethyl]benzamide has a molecular weight of 247.30 g/mol, XLogP of -0.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[azetidin-3-yl(methyl)amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 66185921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).