4-(methylamino)-N-(oxan-3-ylmethyl)oxolane-3-carboxamide

C12H22N2O3 — CID 66267404

IUPAC4-(methylamino)-N-(oxan-3-ylmethyl)oxolane-3-carboxamide
SMILESCNC1COCC1C(=O)NCC1CCCOC1
InChIInChI=1S/C12H22N2O3/c1-13-11-8-17-7-10(11)12(15)14-5-9-3-2-4-16-6-9/h9-11,13H,2-8H2,1H3,(H,14,15)
InChIKeyDDEXUWLHTQNMOD-UHFFFAOYSA-N
MW242.32 g/mol
LogP-0.24
Rot. Bonds4

About 4-(methylamino)-N-(oxan-3-ylmethyl)oxolane-3-carboxamide

4-(methylamino)-N-(oxan-3-ylmethyl)oxolane-3-carboxamide (PubChem CID 66267404) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 4-(methylamino)-N-(oxan-3-ylmethyl)oxolane-3-carboxamide.

Molecular Properties

Compound Name4-(methylamino)-N-(oxan-3-ylmethyl)oxolane-3-carboxamide
PubChem CID66267404
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name4-(methylamino)-N-(oxan-3-ylmethyl)oxolane-3-carboxamide
SMILESCNC1COCC1C(=O)NCC1CCCOC1
InChIInChI=1S/C12H22N2O3/c1-13-11-8-17-7-10(11)12(15)14-5-9-3-2-4-16-6-9/h9-11,13H,2-8H2,1H3,(H,14,15)
InChIKeyDDEXUWLHTQNMOD-UHFFFAOYSA-N
XLogP-0.24
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(oxan-3-ylmethyl)-4-(propylamino)oxolane-3-carboxamide
CID 66256717
1-methyl-3-(oxan-3-ylmethyl)urea
CID 115588448
4-ethyl-2-(oxan-3-ylmethylcarbamoyl)cyclopentane-1-carboxylic acid
CID 114511623
N-(cyclopropylmethyl)-4-(ethylamino)oxolane-3-carboxamide
CID 66258449
2-hydroxy-N-(oxan-3-ylmethyl)acetamide
CID 130804735
N-(2-bicyclo[2.2.1]heptanyl)-4-(methylamino)oxolane-3-carboxamide
CID 66267050
4-(methylamino)-N-(oxan-3-ylmethyl)butanamide
CID 61019472
N-(2,3-dimethylbutyl)-4-(methylamino)oxolane-3-carboxamide
CID 66267245
2-(oxolan-3-ylmethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 54933491
2-(oxolan-3-ylmethylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103978063
1-[(3S)-oxan-3-yl]-N-[[(3S)-oxan-3-yl]methyl]methanamine
CID 129371205
tert-butyl N-(oxan-3-ylmethyl)carbamate
CID 63788882

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-N-(oxan-3-ylmethyl)oxolane-3-carboxamide?
The IUPAC name of 4-(methylamino)-N-(oxan-3-ylmethyl)oxolane-3-carboxamide (CID 66267404) is 4-(methylamino)-N-(oxan-3-ylmethyl)oxolane-3-carboxamide.
What is the SMILES notation for 4-(methylamino)-N-(oxan-3-ylmethyl)oxolane-3-carboxamide?
The canonical SMILES for 4-(methylamino)-N-(oxan-3-ylmethyl)oxolane-3-carboxamide is CNC1COCC1C(=O)NCC1CCCOC1.
What is the InChIKey of 4-(methylamino)-N-(oxan-3-ylmethyl)oxolane-3-carboxamide?
The InChIKey is DDEXUWLHTQNMOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-13-11-8-17-7-10(11)12(15)14-5-9-3-2-4-16-6-9/h9-11,13H,2-8H2,1H3,(H,14,15).
What are the key properties of 4-(methylamino)-N-(oxan-3-ylmethyl)oxolane-3-carboxamide?
4-(methylamino)-N-(oxan-3-ylmethyl)oxolane-3-carboxamide has a molecular weight of 242.32 g/mol, XLogP of -0.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-N-(oxan-3-ylmethyl)oxolane-3-carboxamide is sourced from PubChem (CID 66267404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).