4-methyl-N-(pyrrolidin-2-ylmethyl)oxane-4-carboxamide

C12H22N2O2 — CID 70985299

IUPAC4-methyl-N-(pyrrolidin-2-ylmethyl)oxane-4-carboxamide
SMILESCC1(C(=O)NCC2CCCN2)CCOCC1
InChIInChI=1S/C12H22N2O2/c1-12(4-7-16-8-5-12)11(15)14-9-10-3-2-6-13-10/h10,13H,2-9H2,1H3,(H,14,15)
InChIKeyMOWRNTQYVKEDFS-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.67
Rot. Bonds3

About 4-methyl-N-(pyrrolidin-2-ylmethyl)oxane-4-carboxamide

4-methyl-N-(pyrrolidin-2-ylmethyl)oxane-4-carboxamide (PubChem CID 70985299) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 4-methyl-N-(pyrrolidin-2-ylmethyl)oxane-4-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(pyrrolidin-2-ylmethyl)oxane-4-carboxamide
PubChem CID70985299
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name4-methyl-N-(pyrrolidin-2-ylmethyl)oxane-4-carboxamide
SMILESCC1(C(=O)NCC2CCCN2)CCOCC1
InChIInChI=1S/C12H22N2O2/c1-12(4-7-16-8-5-12)11(15)14-9-10-3-2-6-13-10/h10,13H,2-9H2,1H3,(H,14,15)
InChIKeyMOWRNTQYVKEDFS-UHFFFAOYSA-N
XLogP0.67
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 106826694
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1-amino-N-(piperidin-2-ylmethyl)cyclopropane-1-carboxamide
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1-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)cyclobutane-1-carboxamide
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5-ethyl-N-(pyrrolidin-2-ylmethyl)furan-2-carboxamide
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CID 62541274
1-(2-methoxyethyl)-N-(pyrrolidin-2-ylmethyl)cyclobutane-1-carboxamide;hydrochloride
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2,2-dimethyl-N-(pyrrolidin-2-ylmethyl)propanamide
CID 62542506
N-[(3,3-dimethylpiperidin-2-yl)methyl]-1-methylcyclopropane-1-carboxamide
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1-(4-fluorophenyl)-N-(pyrrolidin-2-ylmethyl)cyclopropane-1-carboxamide
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2-chloro-N-(pyrrolidin-2-ylmethyl)acetamide
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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(pyrrolidin-2-ylmethyl)oxane-4-carboxamide?
The IUPAC name of 4-methyl-N-(pyrrolidin-2-ylmethyl)oxane-4-carboxamide (CID 70985299) is 4-methyl-N-(pyrrolidin-2-ylmethyl)oxane-4-carboxamide.
What is the SMILES notation for 4-methyl-N-(pyrrolidin-2-ylmethyl)oxane-4-carboxamide?
The canonical SMILES for 4-methyl-N-(pyrrolidin-2-ylmethyl)oxane-4-carboxamide is CC1(C(=O)NCC2CCCN2)CCOCC1.
What is the InChIKey of 4-methyl-N-(pyrrolidin-2-ylmethyl)oxane-4-carboxamide?
The InChIKey is MOWRNTQYVKEDFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-12(4-7-16-8-5-12)11(15)14-9-10-3-2-6-13-10/h10,13H,2-9H2,1H3,(H,14,15).
What are the key properties of 4-methyl-N-(pyrrolidin-2-ylmethyl)oxane-4-carboxamide?
4-methyl-N-(pyrrolidin-2-ylmethyl)oxane-4-carboxamide has a molecular weight of 226.32 g/mol, XLogP of 0.67, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(pyrrolidin-2-ylmethyl)oxane-4-carboxamide is sourced from PubChem (CID 70985299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).