N-(azetidin-3-yl)-2-tert-butylcyclopropane-1-carboxamide

C11H20N2O — CID 164661940

IUPACN-(azetidin-3-yl)-2-tert-butylcyclopropane-1-carboxamide
SMILESCC(C)(C)C1CC1C(=O)NC1CNC1
InChIInChI=1S/C11H20N2O/c1-11(2,3)9-4-8(9)10(14)13-7-5-12-6-7/h7-9,12H,4-6H2,1-3H3,(H,13,14)
InChIKeyONZNTXLJCSXXJM-UHFFFAOYSA-N
MW196.29 g/mol
LogP0.76
Rot. Bonds2

About N-(azetidin-3-yl)-2-tert-butylcyclopropane-1-carboxamide

N-(azetidin-3-yl)-2-tert-butylcyclopropane-1-carboxamide (PubChem CID 164661940) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is N-(azetidin-3-yl)-2-tert-butylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(azetidin-3-yl)-2-tert-butylcyclopropane-1-carboxamide
PubChem CID164661940
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC NameN-(azetidin-3-yl)-2-tert-butylcyclopropane-1-carboxamide
SMILESCC(C)(C)C1CC1C(=O)NC1CNC1
InChIInChI=1S/C11H20N2O/c1-11(2,3)9-4-8(9)10(14)13-7-5-12-6-7/h7-9,12H,4-6H2,1-3H3,(H,13,14)
InChIKeyONZNTXLJCSXXJM-UHFFFAOYSA-N
XLogP0.76
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-tert-butyl-N-cyclopropylcyclopropane-1-carboxamide
CID 164661926
2-tert-butylcyclopropane-1-carbohydrazide
CID 164661851
(3R,4R)-N-(azetidin-3-yl)-1-tert-butyl-4-methylpyrrolidine-3-carboxamide
CID 126550954
N-(azetidin-3-yl)-2,2-dimethylpropanamide
CID 58468718
1-(azetidin-3-yl)-3-tert-butylurea
CID 66186075
N-[(3aS,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-yl]-2-methylcyclopropane-1-carboxamide
CID 43603815
N-cyclopent-3-en-1-yl-4-methylpyrrolidine-3-carboxamide
CID 115976512
(3S,4S)-4-methyl-N-(1-methylazetidin-3-yl)pyrrolidine-3-carboxamide
CID 131204171
(3S,4S)-N-cyclopent-3-en-1-yl-4-methylpyrrolidine-3-carboxamide;hydrochloride
CID 131110722
(3S,4S)-N-(4,4-dimethylcyclohexyl)-4-methylpyrrolidine-3-carboxamide
CID 114084930
N-(5-methylpiperidin-3-yl)cyclopropanecarboxamide
CID 173311262
azetidin-3-ylurea
CID 66186769

Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-yl)-2-tert-butylcyclopropane-1-carboxamide?
The IUPAC name of N-(azetidin-3-yl)-2-tert-butylcyclopropane-1-carboxamide (CID 164661940) is N-(azetidin-3-yl)-2-tert-butylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(azetidin-3-yl)-2-tert-butylcyclopropane-1-carboxamide?
The canonical SMILES for N-(azetidin-3-yl)-2-tert-butylcyclopropane-1-carboxamide is CC(C)(C)C1CC1C(=O)NC1CNC1.
What is the InChIKey of N-(azetidin-3-yl)-2-tert-butylcyclopropane-1-carboxamide?
The InChIKey is ONZNTXLJCSXXJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-11(2,3)9-4-8(9)10(14)13-7-5-12-6-7/h7-9,12H,4-6H2,1-3H3,(H,13,14).
What are the key properties of N-(azetidin-3-yl)-2-tert-butylcyclopropane-1-carboxamide?
N-(azetidin-3-yl)-2-tert-butylcyclopropane-1-carboxamide has a molecular weight of 196.29 g/mol, XLogP of 0.76, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-yl)-2-tert-butylcyclopropane-1-carboxamide is sourced from PubChem (CID 164661940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).