ethyl N-[2-[acetyl(1,3-benzodioxol-5-yl)amino]ethyl]carbamate

C14H18N2O5 — CID 113062992

IUPACethyl N-[2-[acetyl(1,3-benzodioxol-5-yl)amino]ethyl]carbamate
SMILESCCOC(=O)NCCN(C(C)=O)c1ccc2c(c1)OCO2
InChIInChI=1S/C14H18N2O5/c1-3-19-14(18)15-6-7-16(10(2)17)11-4-5-12-13(8-11)21-9-20-12/h4-5,8H,3,6-7,9H2,1-2H3,(H,15,18)
InChIKeyOGFHINCCUQNWIK-UHFFFAOYSA-N
MW294.31 g/mol
LogP1.51
Rot. Bonds5

About ethyl N-[2-[acetyl(1,3-benzodioxol-5-yl)amino]ethyl]carbamate

ethyl N-[2-[acetyl(1,3-benzodioxol-5-yl)amino]ethyl]carbamate (PubChem CID 113062992) has the molecular formula C14H18N2O5 and a molecular weight of 294.31 g/mol. Its IUPAC name is ethyl N-[2-[acetyl(1,3-benzodioxol-5-yl)amino]ethyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-[acetyl(1,3-benzodioxol-5-yl)amino]ethyl]carbamate
PubChem CID113062992
Molecular FormulaC14H18N2O5
Molecular Weight294.31 g/mol
Exact Mass294.12
IUPAC Nameethyl N-[2-[acetyl(1,3-benzodioxol-5-yl)amino]ethyl]carbamate
SMILESCCOC(=O)NCCN(C(C)=O)c1ccc2c(c1)OCO2
InChIInChI=1S/C14H18N2O5/c1-3-19-14(18)15-6-7-16(10(2)17)11-4-5-12-13(8-11)21-9-20-12/h4-5,8H,3,6-7,9H2,1-2H3,(H,15,18)
InChIKeyOGFHINCCUQNWIK-UHFFFAOYSA-N
XLogP1.51
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[acetyl(1,3-benzodioxol-5-yl)amino]ethyl]-4-methylbenzamide
CID 113062950
N-[2-[acetyl(1,3-benzodioxol-5-yl)amino]ethyl]-2-(4-methylphenyl)acetamide
CID 113062988
N-[2-[acetyl(1,3-benzodioxol-5-yl)amino]ethyl]pentanamide
CID 113062939
N-[2-[acetyl(1,3-benzodioxol-5-yl)amino]ethyl]-2-methylbenzamide
CID 113062948
ethyl N-[2-(N,4-diacetylanilino)ethyl]carbamate
CID 113061688
3-[acetyl(1,3-benzodioxol-5-yl)amino]propanoic acid
CID 82320415
N-[2-[acetyl(1,3-benzodioxol-5-yl)amino]ethyl]-2-(4-chlorophenyl)acetamide
CID 113062967
N-[2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]ethyl]propanamide
CID 113063025
N-[2-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]ethyl]-2-ethylbutanamide
CID 113063034
ethyl N-[2-(1,3-benzodioxol-5-yloxy)ethyl]carbamate
CID 113101754
2-[acetyl(1,3-benzodioxol-5-yl)amino]-N-propylacetamide
CID 113178212
ethyl N-[2-[N-acetyl-3-(trifluoromethyl)anilino]ethyl]carbamate
CID 113061465

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-[acetyl(1,3-benzodioxol-5-yl)amino]ethyl]carbamate?
The IUPAC name of ethyl N-[2-[acetyl(1,3-benzodioxol-5-yl)amino]ethyl]carbamate (CID 113062992) is ethyl N-[2-[acetyl(1,3-benzodioxol-5-yl)amino]ethyl]carbamate.
What is the SMILES notation for ethyl N-[2-[acetyl(1,3-benzodioxol-5-yl)amino]ethyl]carbamate?
The canonical SMILES for ethyl N-[2-[acetyl(1,3-benzodioxol-5-yl)amino]ethyl]carbamate is CCOC(=O)NCCN(C(C)=O)c1ccc2c(c1)OCO2.
What is the InChIKey of ethyl N-[2-[acetyl(1,3-benzodioxol-5-yl)amino]ethyl]carbamate?
The InChIKey is OGFHINCCUQNWIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O5/c1-3-19-14(18)15-6-7-16(10(2)17)11-4-5-12-13(8-11)21-9-20-12/h4-5,8H,3,6-7,9H2,1-2H3,(H,15,18).
What are the key properties of ethyl N-[2-[acetyl(1,3-benzodioxol-5-yl)amino]ethyl]carbamate?
ethyl N-[2-[acetyl(1,3-benzodioxol-5-yl)amino]ethyl]carbamate has a molecular weight of 294.31 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-[acetyl(1,3-benzodioxol-5-yl)amino]ethyl]carbamate is sourced from PubChem (CID 113062992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).