N-(1-tert-butylazetidin-3-yl)acetamide

C9H18N2O — CID 58877828

IUPACN-(1-tert-butylazetidin-3-yl)acetamide
SMILESCC(=O)NC1CN(C(C)(C)C)C1
InChIInChI=1S/C9H18N2O/c1-7(12)10-8-5-11(6-8)9(2,3)4/h8H,5-6H2,1-4H3,(H,10,12)
InChIKeyXXLXWURHNBSDTE-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.61
Rot. Bonds1

About N-(1-tert-butylazetidin-3-yl)acetamide

N-(1-tert-butylazetidin-3-yl)acetamide (PubChem CID 58877828) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is N-(1-tert-butylazetidin-3-yl)acetamide.

Molecular Properties

Compound NameN-(1-tert-butylazetidin-3-yl)acetamide
PubChem CID58877828
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC NameN-(1-tert-butylazetidin-3-yl)acetamide
SMILESCC(=O)NC1CN(C(C)(C)C)C1
InChIInChI=1S/C9H18N2O/c1-7(12)10-8-5-11(6-8)9(2,3)4/h8H,5-6H2,1-4H3,(H,10,12)
InChIKeyXXLXWURHNBSDTE-UHFFFAOYSA-N
XLogP0.61
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3S)-1-tert-butylpiperidin-3-yl]acetamide
CID 58182173
N-(3-tert-butyl-3-azabicyclo[3.1.0]hexan-6-yl)acetamide
CID 89460475
tert-butyl N-(1-tert-butylazetidin-3-yl)carbamate
CID 89460397
N-(1-methanidylazetidin-3-yl)acetamide
CID 59822088
N-(1-tert-butylazetidin-3-yl)-2-phenylacetamide
CID 164918158
prop-2-ynyl N-(1-tert-butylazetidin-3-yl)carbamate
CID 89460440
1-tert-butyl-3-N,5-N-dimethylpiperidine-3,5-diamine
CID 89335604
N-(1-tert-butylazetidin-3-yl)pyrazine-2-carboxamide
CID 89460399
N-[(3R)-1-[1-(4-tert-butyl-1,4,7-triazonan-1-yl)-2-methylpropan-2-yl]pyrrolidin-3-yl]acetamide
CID 126565337
N-[1-(2-bromoacetyl)azetidin-3-yl]acetamide
CID 130770058
N-[(3R)-1-tert-butylpyrrolidin-3-yl]-2,2,2-trifluoroacetamide
CID 90438031
N-[(3R)-1-(2,2-dimethylpropyl)pyrrolidin-3-yl]acetamide
CID 58877738

Frequently Asked Questions

What is the IUPAC name of N-(1-tert-butylazetidin-3-yl)acetamide?
The IUPAC name of N-(1-tert-butylazetidin-3-yl)acetamide (CID 58877828) is N-(1-tert-butylazetidin-3-yl)acetamide.
What is the SMILES notation for N-(1-tert-butylazetidin-3-yl)acetamide?
The canonical SMILES for N-(1-tert-butylazetidin-3-yl)acetamide is CC(=O)NC1CN(C(C)(C)C)C1.
What is the InChIKey of N-(1-tert-butylazetidin-3-yl)acetamide?
The InChIKey is XXLXWURHNBSDTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-7(12)10-8-5-11(6-8)9(2,3)4/h8H,5-6H2,1-4H3,(H,10,12).
What are the key properties of N-(1-tert-butylazetidin-3-yl)acetamide?
N-(1-tert-butylazetidin-3-yl)acetamide has a molecular weight of 170.26 g/mol, XLogP of 0.61, 1 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)acetamide is sourced from PubChem (CID 58877828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).