N-[[4-(dimethylamino)oxan-4-yl]methyl]pyrrolidine-2-carboxamide

C13H25N3O2 — CID 119885272

IUPACN-[[4-(dimethylamino)oxan-4-yl]methyl]pyrrolidine-2-carboxamide
SMILESCN(C)C1(CNC(=O)C2CCCN2)CCOCC1
InChIInChI=1S/C13H25N3O2/c1-16(2)13(5-8-18-9-6-13)10-15-12(17)11-4-3-7-14-11/h11,14H,3-10H2,1-2H3,(H,15,17)
InChIKeyPGMDLALHWPFIAI-UHFFFAOYSA-N
MW255.36 g/mol
LogP-0.03
Rot. Bonds4

About N-[[4-(dimethylamino)oxan-4-yl]methyl]pyrrolidine-2-carboxamide

N-[[4-(dimethylamino)oxan-4-yl]methyl]pyrrolidine-2-carboxamide (PubChem CID 119885272) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is N-[[4-(dimethylamino)oxan-4-yl]methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)oxan-4-yl]methyl]pyrrolidine-2-carboxamide
PubChem CID119885272
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC NameN-[[4-(dimethylamino)oxan-4-yl]methyl]pyrrolidine-2-carboxamide
SMILESCN(C)C1(CNC(=O)C2CCCN2)CCOCC1
InChIInChI=1S/C13H25N3O2/c1-16(2)13(5-8-18-9-6-13)10-15-12(17)11-4-3-7-14-11/h11,14H,3-10H2,1-2H3,(H,15,17)
InChIKeyPGMDLALHWPFIAI-UHFFFAOYSA-N
XLogP-0.03
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)oxan-4-yl]methyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-[[4-(dimethylamino)oxan-4-yl]methyl]pyrrolidine-2-carboxamide (CID 119885272) is N-[[4-(dimethylamino)oxan-4-yl]methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[[4-(dimethylamino)oxan-4-yl]methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-[[4-(dimethylamino)oxan-4-yl]methyl]pyrrolidine-2-carboxamide is CN(C)C1(CNC(=O)C2CCCN2)CCOCC1.
What is the InChIKey of N-[[4-(dimethylamino)oxan-4-yl]methyl]pyrrolidine-2-carboxamide?
The InChIKey is PGMDLALHWPFIAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-16(2)13(5-8-18-9-6-13)10-15-12(17)11-4-3-7-14-11/h11,14H,3-10H2,1-2H3,(H,15,17).
What are the key properties of N-[[4-(dimethylamino)oxan-4-yl]methyl]pyrrolidine-2-carboxamide?
N-[[4-(dimethylamino)oxan-4-yl]methyl]pyrrolidine-2-carboxamide has a molecular weight of 255.36 g/mol, XLogP of -0.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)oxan-4-yl]methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 119885272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).