N-[3-(dimethylamino)propyl]-N-ethyl-4-(methylamino)oxolane-3-carboxamide

C13H27N3O2 — CID 102992836

IUPACN-[3-(dimethylamino)propyl]-N-ethyl-4-(methylamino)oxolane-3-carboxamide
SMILESCCN(CCCN(C)C)C(=O)C1COCC1NC
InChIInChI=1S/C13H27N3O2/c1-5-16(8-6-7-15(3)4)13(17)11-9-18-10-12(11)14-2/h11-12,14H,5-10H2,1-4H3
InChIKeyXMZPANJLDIRKNQ-UHFFFAOYSA-N
MW257.38 g/mol
LogP0.02
Rot. Bonds7

About N-[3-(dimethylamino)propyl]-N-ethyl-4-(methylamino)oxolane-3-carboxamide

N-[3-(dimethylamino)propyl]-N-ethyl-4-(methylamino)oxolane-3-carboxamide (PubChem CID 102992836) has the molecular formula C13H27N3O2 and a molecular weight of 257.38 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-N-ethyl-4-(methylamino)oxolane-3-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-N-ethyl-4-(methylamino)oxolane-3-carboxamide
PubChem CID102992836
Molecular FormulaC13H27N3O2
Molecular Weight257.38 g/mol
Exact Mass257.21
IUPAC NameN-[3-(dimethylamino)propyl]-N-ethyl-4-(methylamino)oxolane-3-carboxamide
SMILESCCN(CCCN(C)C)C(=O)C1COCC1NC
InChIInChI=1S/C13H27N3O2/c1-5-16(8-6-7-15(3)4)13(17)11-9-18-10-12(11)14-2/h11-12,14H,5-10H2,1-4H3
InChIKeyXMZPANJLDIRKNQ-UHFFFAOYSA-N
XLogP0.02
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-N-ethyl-4-(methylamino)oxolane-3-carboxamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-N-ethyl-4-(methylamino)oxolane-3-carboxamide (CID 102992836) is N-[3-(dimethylamino)propyl]-N-ethyl-4-(methylamino)oxolane-3-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-N-ethyl-4-(methylamino)oxolane-3-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-N-ethyl-4-(methylamino)oxolane-3-carboxamide is CCN(CCCN(C)C)C(=O)C1COCC1NC.
What is the InChIKey of N-[3-(dimethylamino)propyl]-N-ethyl-4-(methylamino)oxolane-3-carboxamide?
The InChIKey is XMZPANJLDIRKNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2/c1-5-16(8-6-7-15(3)4)13(17)11-9-18-10-12(11)14-2/h11-12,14H,5-10H2,1-4H3.
What are the key properties of N-[3-(dimethylamino)propyl]-N-ethyl-4-(methylamino)oxolane-3-carboxamide?
N-[3-(dimethylamino)propyl]-N-ethyl-4-(methylamino)oxolane-3-carboxamide has a molecular weight of 257.38 g/mol, XLogP of 0.02, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-N-ethyl-4-(methylamino)oxolane-3-carboxamide is sourced from PubChem (CID 102992836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).