N-[2-[1-(1,3-benzodioxol-5-yl)ethylamino]-2-oxoethyl]-2-naphthalen-1-ylacetamide

C23H22N2O4 — CID 51323962

IUPACN-[2-[1-(1,3-benzodioxol-5-yl)ethylamino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
SMILESCC(NC(=O)CNC(=O)Cc1cccc2ccccc12)c1ccc2c(c1)OCO2
InChIInChI=1S/C23H22N2O4/c1-15(17-9-10-20-21(11-17)29-14-28-20)25-23(27)13-24-22(26)12-18-7-4-6-16-5-2-3-8-19(16)18/h2-11,15H,12-14H2,1H3,(H,24,26)(H,25,27)
InChIKeyMYNPUOQGXKYWOL-UHFFFAOYSA-N
MW390.44 g/mol
LogP3.10
Rot. Bonds6

About N-[2-[1-(1,3-benzodioxol-5-yl)ethylamino]-2-oxoethyl]-2-naphthalen-1-ylacetamide

N-[2-[1-(1,3-benzodioxol-5-yl)ethylamino]-2-oxoethyl]-2-naphthalen-1-ylacetamide (PubChem CID 51323962) has the molecular formula C23H22N2O4 and a molecular weight of 390.44 g/mol. Its IUPAC name is N-[2-[1-(1,3-benzodioxol-5-yl)ethylamino]-2-oxoethyl]-2-naphthalen-1-ylacetamide.

Molecular Properties

Compound NameN-[2-[1-(1,3-benzodioxol-5-yl)ethylamino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
PubChem CID51323962
Molecular FormulaC23H22N2O4
Molecular Weight390.44 g/mol
Exact Mass390.16
IUPAC NameN-[2-[1-(1,3-benzodioxol-5-yl)ethylamino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
SMILESCC(NC(=O)CNC(=O)Cc1cccc2ccccc12)c1ccc2c(c1)OCO2
InChIInChI=1S/C23H22N2O4/c1-15(17-9-10-20-21(11-17)29-14-28-20)25-23(27)13-24-22(26)12-18-7-4-6-16-5-2-3-8-19(16)18/h2-11,15H,12-14H2,1H3,(H,24,26)(H,25,27)
InChIKeyMYNPUOQGXKYWOL-UHFFFAOYSA-N
XLogP3.10
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 9164665
2-naphthalen-1-yl-N-[2-oxo-2-[[(1S)-1-pyridin-4-ylethyl]amino]ethyl]acetamide
CID 25356977
1-[1-(1,3-benzodioxol-5-yl)ethyl]-3-benzylurea
CID 17457631
N-[2-[[(1S)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 9367319
N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-chloroacetamide
CID 3554698
1-[1-(1,3-benzodioxol-5-yl)ethyl]-3-(2-naphthalen-1-yloxyethyl)urea
CID 60543898
N-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]-2-methoxyacetamide
CID 35079410
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(2-methylphenyl)acetamide
CID 51177669
N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-(2-methoxyethylamino)acetamide
CID 78908462
N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-(propylamino)acetamide
CID 60648461
N-[2-[1-(3-fluorophenyl)ethylamino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
CID 17427302
N-[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-2-[methyl(naphthalen-2-yl)amino]acetamide
CID 8593211

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(1,3-benzodioxol-5-yl)ethylamino]-2-oxoethyl]-2-naphthalen-1-ylacetamide?
The IUPAC name of N-[2-[1-(1,3-benzodioxol-5-yl)ethylamino]-2-oxoethyl]-2-naphthalen-1-ylacetamide (CID 51323962) is N-[2-[1-(1,3-benzodioxol-5-yl)ethylamino]-2-oxoethyl]-2-naphthalen-1-ylacetamide.
What is the SMILES notation for N-[2-[1-(1,3-benzodioxol-5-yl)ethylamino]-2-oxoethyl]-2-naphthalen-1-ylacetamide?
The canonical SMILES for N-[2-[1-(1,3-benzodioxol-5-yl)ethylamino]-2-oxoethyl]-2-naphthalen-1-ylacetamide is CC(NC(=O)CNC(=O)Cc1cccc2ccccc12)c1ccc2c(c1)OCO2.
What is the InChIKey of N-[2-[1-(1,3-benzodioxol-5-yl)ethylamino]-2-oxoethyl]-2-naphthalen-1-ylacetamide?
The InChIKey is MYNPUOQGXKYWOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O4/c1-15(17-9-10-20-21(11-17)29-14-28-20)25-23(27)13-24-22(26)12-18-7-4-6-16-5-2-3-8-19(16)18/h2-11,15H,12-14H2,1H3,(H,24,26)(H,25,27).
What are the key properties of N-[2-[1-(1,3-benzodioxol-5-yl)ethylamino]-2-oxoethyl]-2-naphthalen-1-ylacetamide?
N-[2-[1-(1,3-benzodioxol-5-yl)ethylamino]-2-oxoethyl]-2-naphthalen-1-ylacetamide has a molecular weight of 390.44 g/mol, XLogP of 3.10, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(1,3-benzodioxol-5-yl)ethylamino]-2-oxoethyl]-2-naphthalen-1-ylacetamide is sourced from PubChem (CID 51323962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).