4-amino-N-methyl-N-(oxolan-2-ylmethyl)oxolane-3-carboxamide

C11H20N2O3 — CID 66237284

IUPAC4-amino-N-methyl-N-(oxolan-2-ylmethyl)oxolane-3-carboxamide
SMILESCN(CC1CCCO1)C(=O)C1COCC1N
InChIInChI=1S/C11H20N2O3/c1-13(5-8-3-2-4-16-8)11(14)9-6-15-7-10(9)12/h8-10H,2-7,12H2,1H3
InChIKeySXKZOPITDKYSCM-UHFFFAOYSA-N
MW228.29 g/mol
LogP-0.40
Rot. Bonds3

About 4-amino-N-methyl-N-(oxolan-2-ylmethyl)oxolane-3-carboxamide

4-amino-N-methyl-N-(oxolan-2-ylmethyl)oxolane-3-carboxamide (PubChem CID 66237284) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 4-amino-N-methyl-N-(oxolan-2-ylmethyl)oxolane-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-methyl-N-(oxolan-2-ylmethyl)oxolane-3-carboxamide
PubChem CID66237284
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name4-amino-N-methyl-N-(oxolan-2-ylmethyl)oxolane-3-carboxamide
SMILESCN(CC1CCCO1)C(=O)C1COCC1N
InChIInChI=1S/C11H20N2O3/c1-13(5-8-3-2-4-16-8)11(14)9-6-15-7-10(9)12/h8-10H,2-7,12H2,1H3
InChIKeySXKZOPITDKYSCM-UHFFFAOYSA-N
XLogP-0.40
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 5-0.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-methyl-N-(oxolan-2-ylmethyl)cyclopentane-1-carboxamide
CID 64823844
4-amino-N-ethyl-N-methyloxolane-3-carboxamide
CID 66238406
N,2-dimethyl-N-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide
CID 79388240
methyl(oxolan-2-ylmethyl)carbamic acid
CID 90935828
N-methyl-N-(oxan-2-ylmethyl)cyclopropanecarboxamide
CID 61150958
N-methyl-N-(oxolan-2-ylmethyl)carbamoyl chloride
CID 79887071
3-[methyl(oxolan-2-ylmethyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 55236563
9-amino-N-methyl-N-(oxolan-2-ylmethyl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120988662
3-amino-N,4-dimethyl-N-(oxan-2-ylmethyl)cyclohexane-1-carboxamide
CID 62781110
1,3-dimethyl-1-(oxolan-2-ylmethyl)urea
CID 115590472
N,2-dimethyl-N-(oxolan-2-ylmethyl)propanamide
CID 61243218
(2R)-N-methyl-N-(oxolan-2-ylmethyl)piperidine-2-carboxamide
CID 103808733

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-methyl-N-(oxolan-2-ylmethyl)oxolane-3-carboxamide?
The IUPAC name of 4-amino-N-methyl-N-(oxolan-2-ylmethyl)oxolane-3-carboxamide (CID 66237284) is 4-amino-N-methyl-N-(oxolan-2-ylmethyl)oxolane-3-carboxamide.
What is the SMILES notation for 4-amino-N-methyl-N-(oxolan-2-ylmethyl)oxolane-3-carboxamide?
The canonical SMILES for 4-amino-N-methyl-N-(oxolan-2-ylmethyl)oxolane-3-carboxamide is CN(CC1CCCO1)C(=O)C1COCC1N.
What is the InChIKey of 4-amino-N-methyl-N-(oxolan-2-ylmethyl)oxolane-3-carboxamide?
The InChIKey is SXKZOPITDKYSCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-13(5-8-3-2-4-16-8)11(14)9-6-15-7-10(9)12/h8-10H,2-7,12H2,1H3.
What are the key properties of 4-amino-N-methyl-N-(oxolan-2-ylmethyl)oxolane-3-carboxamide?
4-amino-N-methyl-N-(oxolan-2-ylmethyl)oxolane-3-carboxamide has a molecular weight of 228.29 g/mol, XLogP of -0.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-methyl-N-(oxolan-2-ylmethyl)oxolane-3-carboxamide is sourced from PubChem (CID 66237284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).