N-[2-(diethylamino)-2-oxoethyl]-N-methyl-4-(methylamino)oxolane-3-carboxamide

C13H25N3O3 — CID 66266610

IUPACN-[2-(diethylamino)-2-oxoethyl]-N-methyl-4-(methylamino)oxolane-3-carboxamide
SMILESCCN(CC)C(=O)CN(C)C(=O)C1COCC1NC
InChIInChI=1S/C13H25N3O3/c1-5-16(6-2)12(17)7-15(4)13(18)10-8-19-9-11(10)14-3/h10-11,14H,5-9H2,1-4H3
InChIKeyJBJNKXSQGUWDFG-UHFFFAOYSA-N
MW271.36 g/mol
LogP-0.45
Rot. Bonds6

About N-[2-(diethylamino)-2-oxoethyl]-N-methyl-4-(methylamino)oxolane-3-carboxamide

N-[2-(diethylamino)-2-oxoethyl]-N-methyl-4-(methylamino)oxolane-3-carboxamide (PubChem CID 66266610) has the molecular formula C13H25N3O3 and a molecular weight of 271.36 g/mol. Its IUPAC name is N-[2-(diethylamino)-2-oxoethyl]-N-methyl-4-(methylamino)oxolane-3-carboxamide.

Molecular Properties

Compound NameN-[2-(diethylamino)-2-oxoethyl]-N-methyl-4-(methylamino)oxolane-3-carboxamide
PubChem CID66266610
Molecular FormulaC13H25N3O3
Molecular Weight271.36 g/mol
Exact Mass271.19
IUPAC NameN-[2-(diethylamino)-2-oxoethyl]-N-methyl-4-(methylamino)oxolane-3-carboxamide
SMILESCCN(CC)C(=O)CN(C)C(=O)C1COCC1NC
InChIInChI=1S/C13H25N3O3/c1-5-16(6-2)12(17)7-15(4)13(18)10-8-19-9-11(10)14-3/h10-11,14H,5-9H2,1-4H3
InChIKeyJBJNKXSQGUWDFG-UHFFFAOYSA-N
XLogP-0.45
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 5-0.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-diethyl-4-(methylamino)oxolane-3-carboxamide
CID 66265754
N-methyl-4-(methylamino)-N-[2-oxo-2-(propylamino)ethyl]oxolane-3-carboxamide
CID 66266600
N-methyl-4-(methylamino)-N-(2-methylbutyl)oxolane-3-carboxamide
CID 66265969
N-butyl-N-methyl-4-(methylamino)oxolane-3-carboxamide
CID 66266751
N-[3-(dimethylamino)propyl]-N-ethyl-4-(methylamino)oxolane-3-carboxamide
CID 102992836
2-[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120974465
N,N-bis(cyanomethyl)-4-(methylamino)oxolane-3-carboxamide
CID 66266554
methyl 2-[[4-(ethylamino)oxolane-3-carbonyl]-methylamino]acetate
CID 66260426
N-[(4-chlorophenyl)methyl]-N-methyl-4-(methylamino)oxolane-3-carboxamide
CID 66267194
N-methyl-4-(methylamino)-N-(2-phenylethyl)oxolane-3-carboxamide
CID 66264836
N-[(4-bromophenyl)methyl]-N-methyl-4-(methylamino)oxolane-3-carboxamide
CID 66266005
3-[ethyl-[4-(methylamino)oxolane-3-carbonyl]amino]butanoic acid
CID 66267433

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)-2-oxoethyl]-N-methyl-4-(methylamino)oxolane-3-carboxamide?
The IUPAC name of N-[2-(diethylamino)-2-oxoethyl]-N-methyl-4-(methylamino)oxolane-3-carboxamide (CID 66266610) is N-[2-(diethylamino)-2-oxoethyl]-N-methyl-4-(methylamino)oxolane-3-carboxamide.
What is the SMILES notation for N-[2-(diethylamino)-2-oxoethyl]-N-methyl-4-(methylamino)oxolane-3-carboxamide?
The canonical SMILES for N-[2-(diethylamino)-2-oxoethyl]-N-methyl-4-(methylamino)oxolane-3-carboxamide is CCN(CC)C(=O)CN(C)C(=O)C1COCC1NC.
What is the InChIKey of N-[2-(diethylamino)-2-oxoethyl]-N-methyl-4-(methylamino)oxolane-3-carboxamide?
The InChIKey is JBJNKXSQGUWDFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O3/c1-5-16(6-2)12(17)7-15(4)13(18)10-8-19-9-11(10)14-3/h10-11,14H,5-9H2,1-4H3.
What are the key properties of N-[2-(diethylamino)-2-oxoethyl]-N-methyl-4-(methylamino)oxolane-3-carboxamide?
N-[2-(diethylamino)-2-oxoethyl]-N-methyl-4-(methylamino)oxolane-3-carboxamide has a molecular weight of 271.36 g/mol, XLogP of -0.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)-2-oxoethyl]-N-methyl-4-(methylamino)oxolane-3-carboxamide is sourced from PubChem (CID 66266610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).