N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]-N-ethyl-1-(oxetan-3-yl)azetidine-3-carboxamide

C19H26N2O4 — CID 168989572

IUPACN-[1-(1,3-benzodioxol-5-yl)propan-2-yl]-N-ethyl-1-(oxetan-3-yl)azetidine-3-carboxamide
SMILESCCN(C(=O)C1CN(C2COC2)C1)C(C)Cc1ccc2c(c1)OCO2
InChIInChI=1S/C19H26N2O4/c1-3-21(19(22)15-8-20(9-15)16-10-23-11-16)13(2)6-14-4-5-17-18(7-14)25-12-24-17/h4-5,7,13,15-16H,3,6,8-12H2,1-2H3
InChIKeyFPXPGFMHSHNHLY-UHFFFAOYSA-N
MW346.43 g/mol
LogP1.53
Rot. Bonds6

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

N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]-N-ethyl-1-(oxetan-3-yl)azetidine-3-carboxamide (PubChem CID 168989572) has the molecular formula C19H26N2O4 and a molecular weight of 346.43 g/mol. Its IUPAC name is N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]-N-ethyl-1-(oxetan-3-yl)azetidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(1,3-benzodioxol-5-yl)propan-2-yl]-N-ethyl-1-(oxetan-3-yl)azetidine-3-carboxamide
PubChem CID168989572
Molecular FormulaC19H26N2O4
Molecular Weight346.43 g/mol
Exact Mass346.19
IUPAC NameN-[1-(1,3-benzodioxol-5-yl)propan-2-yl]-N-ethyl-1-(oxetan-3-yl)azetidine-3-carboxamide
SMILESCCN(C(=O)C1CN(C2COC2)C1)C(C)Cc1ccc2c(c1)OCO2
InChIInChI=1S/C19H26N2O4/c1-3-21(19(22)15-8-20(9-15)16-10-23-11-16)13(2)6-14-4-5-17-18(7-14)25-12-24-17/h4-5,7,13,15-16H,3,6,8-12H2,1-2H3
InChIKeyFPXPGFMHSHNHLY-UHFFFAOYSA-N
XLogP1.53
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]-N-ethyloxetane-3-carboxamide
CID 168989626
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]-1-tert-butyl-N-methylazetidine-3-carboxamide
CID 166468659
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
N-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-N-methyl-1-(oxetan-3-yl)azetidine-3-carboxamide
CID 168990054
(E)-N-[(2S)-1-(1,3-benzodioxol-5-yl)propan-2-yl]-N-ethyl-3-methyl-4-pyrrolidin-1-ylpent-2-enamide
CID 174092630
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
2-(1,3-benzodioxol-5-yl)-N-ethyl-N-(4-hydroxybutan-2-yl)acetamide
CID 56759211
1-(1,3-benzodioxol-5-yl)-N,N-dimethylpropan-2-amine
CID 551630
3-(1,3-benzodioxol-5-yl)-2-methylpropanoic acid
CID 19614615

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]-N-ethyl-1-(oxetan-3-yl)azetidine-3-carboxamide?
The IUPAC name of N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]-N-ethyl-1-(oxetan-3-yl)azetidine-3-carboxamide (CID 168989572) is N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]-N-ethyl-1-(oxetan-3-yl)azetidine-3-carboxamide.
What is the SMILES notation for N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]-N-ethyl-1-(oxetan-3-yl)azetidine-3-carboxamide?
The canonical SMILES for N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]-N-ethyl-1-(oxetan-3-yl)azetidine-3-carboxamide is CCN(C(=O)C1CN(C2COC2)C1)C(C)Cc1ccc2c(c1)OCO2.
What is the InChIKey of N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]-N-ethyl-1-(oxetan-3-yl)azetidine-3-carboxamide?
The InChIKey is FPXPGFMHSHNHLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O4/c1-3-21(19(22)15-8-20(9-15)16-10-23-11-16)13(2)6-14-4-5-17-18(7-14)25-12-24-17/h4-5,7,13,15-16H,3,6,8-12H2,1-2H3.
What are the key properties of N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]-N-ethyl-1-(oxetan-3-yl)azetidine-3-carboxamide?
N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]-N-ethyl-1-(oxetan-3-yl)azetidine-3-carboxamide has a molecular weight of 346.43 g/mol, XLogP of 1.53, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]-N-ethyl-1-(oxetan-3-yl)azetidine-3-carboxamide is sourced from PubChem (CID 168989572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).