N-methyl-4-(methylamino)-N-[2-oxo-2-(propylamino)ethyl]oxolane-3-carboxamide

C12H23N3O3 — CID 66266600

IUPACN-methyl-4-(methylamino)-N-[2-oxo-2-(propylamino)ethyl]oxolane-3-carboxamide
SMILESCCCNC(=O)CN(C)C(=O)C1COCC1NC
InChIInChI=1S/C12H23N3O3/c1-4-5-14-11(16)6-15(3)12(17)9-7-18-8-10(9)13-2/h9-10,13H,4-8H2,1-3H3,(H,14,16)
InChIKeyPDINKXZLPQCQLL-UHFFFAOYSA-N
MW257.33 g/mol
LogP-0.79
Rot. Bonds6

About N-methyl-4-(methylamino)-N-[2-oxo-2-(propylamino)ethyl]oxolane-3-carboxamide

N-methyl-4-(methylamino)-N-[2-oxo-2-(propylamino)ethyl]oxolane-3-carboxamide (PubChem CID 66266600) has the molecular formula C12H23N3O3 and a molecular weight of 257.33 g/mol. Its IUPAC name is N-methyl-4-(methylamino)-N-[2-oxo-2-(propylamino)ethyl]oxolane-3-carboxamide.

Molecular Properties

Compound NameN-methyl-4-(methylamino)-N-[2-oxo-2-(propylamino)ethyl]oxolane-3-carboxamide
PubChem CID66266600
Molecular FormulaC12H23N3O3
Molecular Weight257.33 g/mol
Exact Mass257.17
IUPAC NameN-methyl-4-(methylamino)-N-[2-oxo-2-(propylamino)ethyl]oxolane-3-carboxamide
SMILESCCCNC(=O)CN(C)C(=O)C1COCC1NC
InChIInChI=1S/C12H23N3O3/c1-4-5-14-11(16)6-15(3)12(17)9-7-18-8-10(9)13-2/h9-10,13H,4-8H2,1-3H3,(H,14,16)
InChIKeyPDINKXZLPQCQLL-UHFFFAOYSA-N
XLogP-0.79
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 5-0.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(diethylamino)-2-oxoethyl]-N-methyl-4-(methylamino)oxolane-3-carboxamide
CID 66266610
N-butyl-N-methyl-4-(methylamino)oxolane-3-carboxamide
CID 66266751
cis-(1S,2R)-2-[methyl-[2-oxo-2-(propylamino)ethyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 93377032
N-methyl-4-(methylamino)-N-(2-methylbutyl)oxolane-3-carboxamide
CID 66265969
N-methyl-N-[3-(methylamino)-3-oxopropyl]-4-(propylamino)oxolane-3-carboxamide
CID 106915220
N,4-dimethyl-N-[2-oxo-2-(propylamino)ethyl]pyrrolidine-3-carboxamide
CID 55230155
N,N-diethyl-4-(methylamino)oxolane-3-carboxamide
CID 66265754
2-amino-N-methyl-N-[2-oxo-2-(propylamino)ethyl]cyclohexane-1-carboxamide
CID 62776844
N-(2-methoxyethyl)-N-methyl-4-(propylamino)oxolane-3-carboxamide
CID 66254816
4-amino-N,2-dimethyl-N-[2-oxo-2-(propylamino)ethyl]cyclohexane-1-carboxamide
CID 62781743
5-[methyl-[2-oxo-2-(propylamino)ethyl]carbamoyl]oxolane-2-carboxylic acid
CID 102688076
methyl 2-[[4-(ethylamino)oxolane-3-carbonyl]-methylamino]acetate
CID 66260426

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(methylamino)-N-[2-oxo-2-(propylamino)ethyl]oxolane-3-carboxamide?
The IUPAC name of N-methyl-4-(methylamino)-N-[2-oxo-2-(propylamino)ethyl]oxolane-3-carboxamide (CID 66266600) is N-methyl-4-(methylamino)-N-[2-oxo-2-(propylamino)ethyl]oxolane-3-carboxamide.
What is the SMILES notation for N-methyl-4-(methylamino)-N-[2-oxo-2-(propylamino)ethyl]oxolane-3-carboxamide?
The canonical SMILES for N-methyl-4-(methylamino)-N-[2-oxo-2-(propylamino)ethyl]oxolane-3-carboxamide is CCCNC(=O)CN(C)C(=O)C1COCC1NC.
What is the InChIKey of N-methyl-4-(methylamino)-N-[2-oxo-2-(propylamino)ethyl]oxolane-3-carboxamide?
The InChIKey is PDINKXZLPQCQLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O3/c1-4-5-14-11(16)6-15(3)12(17)9-7-18-8-10(9)13-2/h9-10,13H,4-8H2,1-3H3,(H,14,16).
What are the key properties of N-methyl-4-(methylamino)-N-[2-oxo-2-(propylamino)ethyl]oxolane-3-carboxamide?
N-methyl-4-(methylamino)-N-[2-oxo-2-(propylamino)ethyl]oxolane-3-carboxamide has a molecular weight of 257.33 g/mol, XLogP of -0.79, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(methylamino)-N-[2-oxo-2-(propylamino)ethyl]oxolane-3-carboxamide is sourced from PubChem (CID 66266600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).