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

C15H20N2O4 — CID 66258511

IUPACN-(1,3-benzodioxol-4-ylmethyl)-4-(ethylamino)oxolane-3-carboxamide
SMILESCCNC1COCC1C(=O)NCc1cccc2c1OCO2
InChIInChI=1S/C15H20N2O4/c1-2-16-12-8-19-7-11(12)15(18)17-6-10-4-3-5-13-14(10)21-9-20-13/h3-5,11-12,16H,2,6-9H2,1H3,(H,17,18)
InChIKeyZVGROWZPRFEJGJ-UHFFFAOYSA-N
MW292.33 g/mol
LogP0.66
Rot. Bonds5

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

N-(1,3-benzodioxol-4-ylmethyl)-4-(ethylamino)oxolane-3-carboxamide (PubChem CID 66258511) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is N-(1,3-benzodioxol-4-ylmethyl)-4-(ethylamino)oxolane-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-4-ylmethyl)-4-(ethylamino)oxolane-3-carboxamide
PubChem CID66258511
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC NameN-(1,3-benzodioxol-4-ylmethyl)-4-(ethylamino)oxolane-3-carboxamide
SMILESCCNC1COCC1C(=O)NCc1cccc2c1OCO2
InChIInChI=1S/C15H20N2O4/c1-2-16-12-8-19-7-11(12)15(18)17-6-10-4-3-5-13-14(10)21-9-20-13/h3-5,11-12,16H,2,6-9H2,1H3,(H,17,18)
InChIKeyZVGROWZPRFEJGJ-UHFFFAOYSA-N
XLogP0.66
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-(1,3-benzodioxol-4-ylmethyl)oxolane-3-carboxamide
CID 66238076
4-(ethylamino)-N-[(2-methylphenyl)methyl]oxolane-3-carboxamide
CID 66258098
4-(ethylamino)-N-[(3-methoxyphenyl)methyl]oxolane-3-carboxamide
CID 66257709
N-(1,3-benzodioxol-4-ylmethyl)-2,2-dimethylpropanamide
CID 61149994
4-(ethylamino)-N-[(3-methyl-2-pyridinyl)methyl]oxolane-3-carboxamide
CID 66257562
N-[(2-methoxyphenyl)methyl]-4-(propylamino)oxolane-3-carboxamide
CID 66256873
(2S)-2-amino-N-(1,3-benzodioxol-4-ylmethyl)butanamide
CID 79023389
N-(1,3-benzodioxol-4-ylmethyl)-3-methylpyrrolidine-2-carboxamide
CID 102779033
(2S)-2-amino-N-(1,3-benzodioxol-4-ylmethyl)propanamide
CID 61211159
2-(1,3-benzodioxol-4-ylmethylamino)cyclobutane-1-carboxylic acid
CID 103243100
N-(1,3-benzodioxol-4-ylmethyl)-2-(propan-2-ylamino)acetamide
CID 61211918
propyl N-(1,3-benzodioxol-4-ylmethyl)carbamate
CID 112738825

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-4-ylmethyl)-4-(ethylamino)oxolane-3-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-4-ylmethyl)-4-(ethylamino)oxolane-3-carboxamide (CID 66258511) is N-(1,3-benzodioxol-4-ylmethyl)-4-(ethylamino)oxolane-3-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-4-ylmethyl)-4-(ethylamino)oxolane-3-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-4-ylmethyl)-4-(ethylamino)oxolane-3-carboxamide is CCNC1COCC1C(=O)NCc1cccc2c1OCO2.
What is the InChIKey of N-(1,3-benzodioxol-4-ylmethyl)-4-(ethylamino)oxolane-3-carboxamide?
The InChIKey is ZVGROWZPRFEJGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-2-16-12-8-19-7-11(12)15(18)17-6-10-4-3-5-13-14(10)21-9-20-13/h3-5,11-12,16H,2,6-9H2,1H3,(H,17,18).
What are the key properties of N-(1,3-benzodioxol-4-ylmethyl)-4-(ethylamino)oxolane-3-carboxamide?
N-(1,3-benzodioxol-4-ylmethyl)-4-(ethylamino)oxolane-3-carboxamide has a molecular weight of 292.33 g/mol, XLogP of 0.66, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-4-ylmethyl)-4-(ethylamino)oxolane-3-carboxamide is sourced from PubChem (CID 66258511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).