N,N-diethyl-1,3-benzodioxole-5-carboxamide

C12H15NO3 — CID 27480

IUPACN,N-diethyl-1,3-benzodioxole-5-carboxamide
SMILESCCN(CC)C(=O)c1ccc2c(c1)OCO2
InChIInChI=1S/C12H15NO3/c1-3-13(4-2)12(14)9-5-6-10-11(7-9)16-8-15-10/h5-7H,3-4,8H2,1-2H3
InChIKeyNZQNJNITDVCQRM-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.90
Rot. Bonds3

About N,N-diethyl-1,3-benzodioxole-5-carboxamide

N,N-diethyl-1,3-benzodioxole-5-carboxamide (PubChem CID 27480) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is N,N-diethyl-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-1,3-benzodioxole-5-carboxamide
PubChem CID27480
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC NameN,N-diethyl-1,3-benzodioxole-5-carboxamide
SMILESCCN(CC)C(=O)c1ccc2c(c1)OCO2
InChIInChI=1S/C12H15NO3/c1-3-13(4-2)12(14)9-5-6-10-11(7-9)16-8-15-10/h5-7H,3-4,8H2,1-2H3
InChIKeyNZQNJNITDVCQRM-UHFFFAOYSA-N
XLogP1.90
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Ethamivan
CID 9363
Aniracetam
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Allocryptopine
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1,3-Benzodioxol-5-yl-1-piperidinylmethanone
CID 1370
Methylenedioxypyrovalerone
CID 20111961
Cryptopine
CID 72616
Ethylone
CID 57252245
N-(1-Propylbutyl)-1,3-benzodioxole-5-carboxamide
CID 22831877
5,7,8,15-Tetrahydro-6-methylbis(1,3)benzodioxolo(5,6-c:5',6'-g)azecin-14(6H)-one
CID 185559
N-Methylcorydaldine
CID 303906
N-(2-phenylethyl)-1,3-benzodioxole-5-carboxamide
CID 669595
CX-546
CID 2890

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N,N-diethyl-1,3-benzodioxole-5-carboxamide (CID 27480) is N,N-diethyl-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N,N-diethyl-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N,N-diethyl-1,3-benzodioxole-5-carboxamide is CCN(CC)C(=O)c1ccc2c(c1)OCO2.
What is the InChIKey of N,N-diethyl-1,3-benzodioxole-5-carboxamide?
The InChIKey is NZQNJNITDVCQRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c1-3-13(4-2)12(14)9-5-6-10-11(7-9)16-8-15-10/h5-7H,3-4,8H2,1-2H3.
What are the key properties of N,N-diethyl-1,3-benzodioxole-5-carboxamide?
N,N-diethyl-1,3-benzodioxole-5-carboxamide has a molecular weight of 221.26 g/mol, XLogP of 1.90, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 27480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).