N-methyl-4-(methylamino)-N-(2-methylbutyl)oxolane-3-carboxamide

C12H24N2O2 — CID 66265969

IUPACN-methyl-4-(methylamino)-N-(2-methylbutyl)oxolane-3-carboxamide
SMILESCCC(C)CN(C)C(=O)C1COCC1NC
InChIInChI=1S/C12H24N2O2/c1-5-9(2)6-14(4)12(15)10-7-16-8-11(10)13-3/h9-11,13H,5-8H2,1-4H3
InChIKeyHKGQHGXNIDYWOC-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.73
Rot. Bonds5

About N-methyl-4-(methylamino)-N-(2-methylbutyl)oxolane-3-carboxamide

N-methyl-4-(methylamino)-N-(2-methylbutyl)oxolane-3-carboxamide (PubChem CID 66265969) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is N-methyl-4-(methylamino)-N-(2-methylbutyl)oxolane-3-carboxamide.

Molecular Properties

Compound NameN-methyl-4-(methylamino)-N-(2-methylbutyl)oxolane-3-carboxamide
PubChem CID66265969
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC NameN-methyl-4-(methylamino)-N-(2-methylbutyl)oxolane-3-carboxamide
SMILESCCC(C)CN(C)C(=O)C1COCC1NC
InChIInChI=1S/C12H24N2O2/c1-5-9(2)6-14(4)12(15)10-7-16-8-11(10)13-3/h9-11,13H,5-8H2,1-4H3
InChIKeyHKGQHGXNIDYWOC-UHFFFAOYSA-N
XLogP0.73
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(diethylamino)-2-oxoethyl]-N-methyl-4-(methylamino)oxolane-3-carboxamide
CID 66266610
N,N-diethyl-4-(methylamino)oxolane-3-carboxamide
CID 66265754
N-butyl-N-methyl-4-(methylamino)oxolane-3-carboxamide
CID 66266751
N-methyl-4-(methylamino)-N-[2-oxo-2-(propylamino)ethyl]oxolane-3-carboxamide
CID 66266600
3-[ethyl-[4-(methylamino)oxolane-3-carbonyl]amino]butanoic acid
CID 66267433
N-[3-(dimethylamino)propyl]-N-ethyl-4-(methylamino)oxolane-3-carboxamide
CID 102992836
methyl 3-[[4-(ethylamino)oxolane-3-carbonyl]-methylamino]-2-methylpropanoate
CID 66259275
N,N-bis(cyanomethyl)-4-(methylamino)oxolane-3-carboxamide
CID 66266554
butan-2-yl 4-(methylamino)oxolane-3-carboxylate
CID 66267071
N-(cyclopropylmethyl)-4-(methylamino)-N-propan-2-yloxolane-3-carboxamide
CID 66267230
4-methyl-1-[4-(methylamino)oxolan-3-yl]pentan-1-one
CID 116561287
N-methyl-4-(methylamino)-N-(2-phenylethyl)oxolane-3-carboxamide
CID 66264836

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(methylamino)-N-(2-methylbutyl)oxolane-3-carboxamide?
The IUPAC name of N-methyl-4-(methylamino)-N-(2-methylbutyl)oxolane-3-carboxamide (CID 66265969) is N-methyl-4-(methylamino)-N-(2-methylbutyl)oxolane-3-carboxamide.
What is the SMILES notation for N-methyl-4-(methylamino)-N-(2-methylbutyl)oxolane-3-carboxamide?
The canonical SMILES for N-methyl-4-(methylamino)-N-(2-methylbutyl)oxolane-3-carboxamide is CCC(C)CN(C)C(=O)C1COCC1NC.
What is the InChIKey of N-methyl-4-(methylamino)-N-(2-methylbutyl)oxolane-3-carboxamide?
The InChIKey is HKGQHGXNIDYWOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-5-9(2)6-14(4)12(15)10-7-16-8-11(10)13-3/h9-11,13H,5-8H2,1-4H3.
What are the key properties of N-methyl-4-(methylamino)-N-(2-methylbutyl)oxolane-3-carboxamide?
N-methyl-4-(methylamino)-N-(2-methylbutyl)oxolane-3-carboxamide has a molecular weight of 228.34 g/mol, XLogP of 0.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(methylamino)-N-(2-methylbutyl)oxolane-3-carboxamide is sourced from PubChem (CID 66265969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).