4-amino-N-(1,3-benzodioxol-4-ylmethyl)oxolane-3-carboxamide

C13H16N2O4 — CID 66238076

IUPAC4-amino-N-(1,3-benzodioxol-4-ylmethyl)oxolane-3-carboxamide
SMILESNC1COCC1C(=O)NCc1cccc2c1OCO2
InChIInChI=1S/C13H16N2O4/c14-10-6-17-5-9(10)13(16)15-4-8-2-1-3-11-12(8)19-7-18-11/h1-3,9-10H,4-7,14H2,(H,15,16)
InChIKeyFADXLWNRYJKAQF-UHFFFAOYSA-N
MW264.28 g/mol
LogP0.01
Rot. Bonds3

About 4-amino-N-(1,3-benzodioxol-4-ylmethyl)oxolane-3-carboxamide

4-amino-N-(1,3-benzodioxol-4-ylmethyl)oxolane-3-carboxamide (PubChem CID 66238076) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is 4-amino-N-(1,3-benzodioxol-4-ylmethyl)oxolane-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(1,3-benzodioxol-4-ylmethyl)oxolane-3-carboxamide
PubChem CID66238076
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Name4-amino-N-(1,3-benzodioxol-4-ylmethyl)oxolane-3-carboxamide
SMILESNC1COCC1C(=O)NCc1cccc2c1OCO2
InChIInChI=1S/C13H16N2O4/c14-10-6-17-5-9(10)13(16)15-4-8-2-1-3-11-12(8)19-7-18-11/h1-3,9-10H,4-7,14H2,(H,15,16)
InChIKeyFADXLWNRYJKAQF-UHFFFAOYSA-N
XLogP0.01
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzodioxol-4-ylmethyl)-4-(ethylamino)oxolane-3-carboxamide
CID 66258511
9-amino-N-(1,3-benzodioxol-4-ylmethyl)bicyclo[3.3.1]nonane-3-carboxamide
CID 120987062
N-(1,3-benzodioxol-4-ylmethyl)-2,2-dimethylpropanamide
CID 61149994
4-amino-N-(1,3-benzodioxol-4-ylmethyl)oxane-4-carboxamide
CID 115294563
2-amino-N-(1,3-benzodioxol-4-ylmethyl)acetamide;hydrochloride
CID 119298911
1-amino-N-(1,3-benzodioxol-4-ylmethyl)cyclopentane-1-carboxamide
CID 61212288
(2S)-2-amino-N-(1,3-benzodioxol-4-ylmethyl)propanamide
CID 61211159
(2S)-2-amino-N-(1,3-benzodioxol-4-ylmethyl)-4-methylpentanamide
CID 61211349
4-amino-N-[(3-ethyl-2-pyridinyl)methyl]oxolane-3-carboxamide
CID 82737954
N-(1,3-benzodioxol-4-ylmethyl)piperidine-2-carboxamide;hydrochloride
CID 119298906
4-amino-N-[(4-fluorophenyl)methyl]oxolane-3-carboxamide
CID 66239603
2-hydroxyethyl N-(1,3-benzodioxol-4-ylmethyl)carbamate
CID 79348889

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1,3-benzodioxol-4-ylmethyl)oxolane-3-carboxamide?
The IUPAC name of 4-amino-N-(1,3-benzodioxol-4-ylmethyl)oxolane-3-carboxamide (CID 66238076) is 4-amino-N-(1,3-benzodioxol-4-ylmethyl)oxolane-3-carboxamide.
What is the SMILES notation for 4-amino-N-(1,3-benzodioxol-4-ylmethyl)oxolane-3-carboxamide?
The canonical SMILES for 4-amino-N-(1,3-benzodioxol-4-ylmethyl)oxolane-3-carboxamide is NC1COCC1C(=O)NCc1cccc2c1OCO2.
What is the InChIKey of 4-amino-N-(1,3-benzodioxol-4-ylmethyl)oxolane-3-carboxamide?
The InChIKey is FADXLWNRYJKAQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4/c14-10-6-17-5-9(10)13(16)15-4-8-2-1-3-11-12(8)19-7-18-11/h1-3,9-10H,4-7,14H2,(H,15,16).
What are the key properties of 4-amino-N-(1,3-benzodioxol-4-ylmethyl)oxolane-3-carboxamide?
4-amino-N-(1,3-benzodioxol-4-ylmethyl)oxolane-3-carboxamide has a molecular weight of 264.28 g/mol, XLogP of 0.01, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1,3-benzodioxol-4-ylmethyl)oxolane-3-carboxamide is sourced from PubChem (CID 66238076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).