3-methyl-N-[(4-methyloxan-4-yl)methyl]pyrrolidine-3-carboxamide

C13H24N2O2 — CID 113267282

IUPAC3-methyl-N-[(4-methyloxan-4-yl)methyl]pyrrolidine-3-carboxamide
SMILESCC1(CNC(=O)C2(C)CCNC2)CCOCC1
InChIInChI=1S/C13H24N2O2/c1-12(4-7-17-8-5-12)9-15-11(16)13(2)3-6-14-10-13/h14H,3-10H2,1-2H3,(H,15,16)
InChIKeyWVPAWCNWWIBDQD-UHFFFAOYSA-N
MW240.35 g/mol
LogP0.92
Rot. Bonds3

About 3-methyl-N-[(4-methyloxan-4-yl)methyl]pyrrolidine-3-carboxamide

3-methyl-N-[(4-methyloxan-4-yl)methyl]pyrrolidine-3-carboxamide (PubChem CID 113267282) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 3-methyl-N-[(4-methyloxan-4-yl)methyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[(4-methyloxan-4-yl)methyl]pyrrolidine-3-carboxamide
PubChem CID113267282
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name3-methyl-N-[(4-methyloxan-4-yl)methyl]pyrrolidine-3-carboxamide
SMILESCC1(CNC(=O)C2(C)CCNC2)CCOCC1
InChIInChI=1S/C13H24N2O2/c1-12(4-7-17-8-5-12)9-15-11(16)13(2)3-6-14-10-13/h14H,3-10H2,1-2H3,(H,15,16)
InChIKeyWVPAWCNWWIBDQD-UHFFFAOYSA-N
XLogP0.92
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

8-Oxa-2-azaspiro[4.5]decan-1-one
CID 75478915
4-tert-butyl-N-[(oxan-4-yl)methyl]-2-oxopyrrolidine-3-carboxamide
CID 126851300
N-[1-(2,2-dimethylpropyl)-5-oxo-3-pyrrolidinyl]tetrahydro-2H-pyran-4-carboxamide
CID 45203587
N-methyl-N-(oxan-4-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 55227457
N-(oxan-4-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63708602
N-methyl-N-(oxan-4-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63719754
N-(oxan-4-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63719919
[4-(Methoxymethyl)piperidin-1-yl]-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
CID 63978044
N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 105791413
N-[1-(oxan-4-yl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 105809075
N-[(4-methyloxan-4-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 105891825
N-(4-methyloxan-4-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 116231809

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(4-methyloxan-4-yl)methyl]pyrrolidine-3-carboxamide?
The IUPAC name of 3-methyl-N-[(4-methyloxan-4-yl)methyl]pyrrolidine-3-carboxamide (CID 113267282) is 3-methyl-N-[(4-methyloxan-4-yl)methyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 3-methyl-N-[(4-methyloxan-4-yl)methyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 3-methyl-N-[(4-methyloxan-4-yl)methyl]pyrrolidine-3-carboxamide is CC1(CNC(=O)C2(C)CCNC2)CCOCC1.
What is the InChIKey of 3-methyl-N-[(4-methyloxan-4-yl)methyl]pyrrolidine-3-carboxamide?
The InChIKey is WVPAWCNWWIBDQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-12(4-7-17-8-5-12)9-15-11(16)13(2)3-6-14-10-13/h14H,3-10H2,1-2H3,(H,15,16).
What are the key properties of 3-methyl-N-[(4-methyloxan-4-yl)methyl]pyrrolidine-3-carboxamide?
3-methyl-N-[(4-methyloxan-4-yl)methyl]pyrrolidine-3-carboxamide has a molecular weight of 240.35 g/mol, XLogP of 0.92, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(4-methyloxan-4-yl)methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 113267282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).