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

C19H28N2O3 — CID 168989406

IUPACN-[1-(1,3-benzodioxol-5-yl)propan-2-yl]-N-ethyl-1-propan-2-ylazetidine-3-carboxamide
SMILESCCN(C(=O)C1CN(C(C)C)C1)C(C)Cc1ccc2c(c1)OCO2
InChIInChI=1S/C19H28N2O3/c1-5-21(19(22)16-10-20(11-16)13(2)3)14(4)8-15-6-7-17-18(9-15)24-12-23-17/h6-7,9,13-14,16H,5,8,10-12H2,1-4H3
InChIKeyGKRVERYLCPJNLC-UHFFFAOYSA-N
MW332.44 g/mol
LogP2.54
Rot. Bonds6

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

N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]-N-ethyl-1-propan-2-ylazetidine-3-carboxamide (PubChem CID 168989406) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]-N-ethyl-1-propan-2-ylazetidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(1,3-benzodioxol-5-yl)propan-2-yl]-N-ethyl-1-propan-2-ylazetidine-3-carboxamide
PubChem CID168989406
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC NameN-[1-(1,3-benzodioxol-5-yl)propan-2-yl]-N-ethyl-1-propan-2-ylazetidine-3-carboxamide
SMILESCCN(C(=O)C1CN(C(C)C)C1)C(C)Cc1ccc2c(c1)OCO2
InChIInChI=1S/C19H28N2O3/c1-5-21(19(22)16-10-20(11-16)13(2)3)14(4)8-15-6-7-17-18(9-15)24-12-23-17/h6-7,9,13-14,16H,5,8,10-12H2,1-4H3
InChIKeyGKRVERYLCPJNLC-UHFFFAOYSA-N
XLogP2.54
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 52.54
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-ethyloxetane-3-carboxamide
CID 168989626
N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]-1-tert-butyl-N-methylazetidine-3-carboxamide
CID 166468659
(E)-N-[(2S)-1-(1,3-benzodioxol-5-yl)propan-2-yl]-N-ethyl-3-methyl-4-pyrrolidin-1-ylpent-2-enamide
CID 174092630
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
[1-(1,3-benzodioxol-5-yl)propan-2-yl-ethylcarbamoyl]oxymethyl (1,1-dioxothietan-3-yl) carbonate
CID 168989444
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-propan-2-ylazetidine-3-carboxamide?
The IUPAC name of N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]-N-ethyl-1-propan-2-ylazetidine-3-carboxamide (CID 168989406) is N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]-N-ethyl-1-propan-2-ylazetidine-3-carboxamide.
What is the SMILES notation for N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]-N-ethyl-1-propan-2-ylazetidine-3-carboxamide?
The canonical SMILES for N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]-N-ethyl-1-propan-2-ylazetidine-3-carboxamide is CCN(C(=O)C1CN(C(C)C)C1)C(C)Cc1ccc2c(c1)OCO2.
What is the InChIKey of N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]-N-ethyl-1-propan-2-ylazetidine-3-carboxamide?
The InChIKey is GKRVERYLCPJNLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-5-21(19(22)16-10-20(11-16)13(2)3)14(4)8-15-6-7-17-18(9-15)24-12-23-17/h6-7,9,13-14,16H,5,8,10-12H2,1-4H3.
What are the key properties of N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]-N-ethyl-1-propan-2-ylazetidine-3-carboxamide?
N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]-N-ethyl-1-propan-2-ylazetidine-3-carboxamide has a molecular weight of 332.44 g/mol, XLogP of 2.54, 6 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-ethyl-1-propan-2-ylazetidine-3-carboxamide is sourced from PubChem (CID 168989406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).