N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]-N-ethyloxetane-3-carboxamide

C16H21NO4 — CID 168989626

IUPACN-[1-(1,3-benzodioxol-5-yl)propan-2-yl]-N-ethyloxetane-3-carboxamide
SMILESCCN(C(=O)C1COC1)C(C)Cc1ccc2c(c1)OCO2
InChIInChI=1S/C16H21NO4/c1-3-17(16(18)13-8-19-9-13)11(2)6-12-4-5-14-15(7-12)21-10-20-14/h4-5,7,11,13H,3,6,8-10H2,1-2H3
InChIKeyXDUWQSAYXWBYSJ-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.84
Rot. Bonds5

About N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]-N-ethyloxetane-3-carboxamide

N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]-N-ethyloxetane-3-carboxamide (PubChem CID 168989626) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]-N-ethyloxetane-3-carboxamide.

Molecular Properties

Compound NameN-[1-(1,3-benzodioxol-5-yl)propan-2-yl]-N-ethyloxetane-3-carboxamide
PubChem CID168989626
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC NameN-[1-(1,3-benzodioxol-5-yl)propan-2-yl]-N-ethyloxetane-3-carboxamide
SMILESCCN(C(=O)C1COC1)C(C)Cc1ccc2c(c1)OCO2
InChIInChI=1S/C16H21NO4/c1-3-17(16(18)13-8-19-9-13)11(2)6-12-4-5-14-15(7-12)21-10-20-14/h4-5,7,11,13H,3,6,8-10H2,1-2H3
InChIKeyXDUWQSAYXWBYSJ-UHFFFAOYSA-N
XLogP1.84
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]-N-ethyl-1-(oxetan-3-yl)azetidine-3-carboxamide
CID 168989572
N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]-N-ethyl-1-propan-2-ylazetidine-3-carboxamide
CID 168989406
N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]-3-(dimethylamino)-N-ethylpropanamide
CID 168989439
2-methylpropyl N-[(2S)-1-(1,3-benzodioxol-5-yl)propan-2-yl]-N-ethylcarbamate
CID 168989612
6-amino-N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]-N-ethylhexanamide
CID 168989675
2-amino-N-[(2S)-1-(1,3-benzodioxol-5-yl)propan-2-yl]-N-ethylacetamide;butan-1-amine
CID 168989431
(E)-N-[(2S)-1-(1,3-benzodioxol-5-yl)propan-2-yl]-N-ethyl-3-methyl-4-pyrrolidin-1-ylpent-2-enamide
CID 174092630
1-(1,3-benzodioxol-5-yl)-N,N-dimethylpropan-2-amine
CID 551630
3-(1,3-benzodioxol-5-yl)-2-methylpropanoic acid
CID 19614615
6-[[1-(1,3-benzodioxol-5-yl)propan-2-yl-ethylcarbamoyl]oxymethoxy]-6-oxohexanoic acid
CID 168989348
N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]-1-tert-butyl-N-methylazetidine-3-carboxamide
CID 166468659
N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]-N,2,2-trimethylpropanamide
CID 166468601

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]-N-ethyloxetane-3-carboxamide?
The IUPAC name of N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]-N-ethyloxetane-3-carboxamide (CID 168989626) is N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]-N-ethyloxetane-3-carboxamide.
What is the SMILES notation for N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]-N-ethyloxetane-3-carboxamide?
The canonical SMILES for N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]-N-ethyloxetane-3-carboxamide is CCN(C(=O)C1COC1)C(C)Cc1ccc2c(c1)OCO2.
What is the InChIKey of N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]-N-ethyloxetane-3-carboxamide?
The InChIKey is XDUWQSAYXWBYSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO4/c1-3-17(16(18)13-8-19-9-13)11(2)6-12-4-5-14-15(7-12)21-10-20-14/h4-5,7,11,13H,3,6,8-10H2,1-2H3.
What are the key properties of N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]-N-ethyloxetane-3-carboxamide?
N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]-N-ethyloxetane-3-carboxamide has a molecular weight of 291.35 g/mol, XLogP of 1.84, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]-N-ethyloxetane-3-carboxamide is sourced from PubChem (CID 168989626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).