N-(1-tert-butylazetidin-3-yl)-2-phenylacetamide

C15H22N2O — CID 164918158

IUPACN-(1-tert-butylazetidin-3-yl)-2-phenylacetamide
SMILESCC(C)(C)N1CC(NC(=O)Cc2ccccc2)C1
InChIInChI=1S/C15H22N2O/c1-15(2,3)17-10-13(11-17)16-14(18)9-12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3,(H,16,18)
InChIKeyHYMMGOHBAYDISG-UHFFFAOYSA-N
MW246.35 g/mol
LogP1.83
Rot. Bonds3

About N-(1-tert-butylazetidin-3-yl)-2-phenylacetamide

N-(1-tert-butylazetidin-3-yl)-2-phenylacetamide (PubChem CID 164918158) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is N-(1-tert-butylazetidin-3-yl)-2-phenylacetamide.

Molecular Properties

Compound NameN-(1-tert-butylazetidin-3-yl)-2-phenylacetamide
PubChem CID164918158
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC NameN-(1-tert-butylazetidin-3-yl)-2-phenylacetamide
SMILESCC(C)(C)N1CC(NC(=O)Cc2ccccc2)C1
InChIInChI=1S/C15H22N2O/c1-15(2,3)17-10-13(11-17)16-14(18)9-12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3,(H,16,18)
InChIKeyHYMMGOHBAYDISG-UHFFFAOYSA-N
XLogP1.83
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 79688083
benzyl N-[(3S,4S)-1-tert-butyl-4-hydroxypyrrolidin-3-yl]carbamate
CID 130205686
benzyl N-[(3R,5R)-1-tert-butyl-5-phenylpiperidin-3-yl]carbamate
CID 118413200
2-phenyl-N-[(1S,2S)-2-[(2-phenylacetyl)amino]cyclohexyl]acetamide
CID 1011315
N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-3-phenylpropanamide
CID 110736896
2-phenyl-N-piperidin-4-ylacetamide
CID 1445168
N-(4-oxocyclohexyl)-2-phenylacetamide
CID 43652835
N-(2-methylpiperidin-4-yl)-2-phenylacetamide;hydrochloride
CID 120599481
N-[(1S,4R,5S,6R)-5,6-dihydroxy-4-[(2-phenylacetyl)amino]cyclohex-2-en-1-yl]-2-phenylacetamide
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N-[2-(cyclohexylamino)-2-oxoethyl]-2-phenylacetamide
CID 51160966

Frequently Asked Questions

What is the IUPAC name of N-(1-tert-butylazetidin-3-yl)-2-phenylacetamide?
The IUPAC name of N-(1-tert-butylazetidin-3-yl)-2-phenylacetamide (CID 164918158) is N-(1-tert-butylazetidin-3-yl)-2-phenylacetamide.
What is the SMILES notation for N-(1-tert-butylazetidin-3-yl)-2-phenylacetamide?
The canonical SMILES for N-(1-tert-butylazetidin-3-yl)-2-phenylacetamide is CC(C)(C)N1CC(NC(=O)Cc2ccccc2)C1.
What is the InChIKey of N-(1-tert-butylazetidin-3-yl)-2-phenylacetamide?
The InChIKey is HYMMGOHBAYDISG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-15(2,3)17-10-13(11-17)16-14(18)9-12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3,(H,16,18).
What are the key properties of N-(1-tert-butylazetidin-3-yl)-2-phenylacetamide?
N-(1-tert-butylazetidin-3-yl)-2-phenylacetamide has a molecular weight of 246.35 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-tert-butylazetidin-3-yl)-2-phenylacetamide is sourced from PubChem (CID 164918158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).