2-(1,3-benzodioxol-5-ylmethylamino)-N-naphthalen-1-ylacetamide

C20H18N2O3 — CID 43816753

IUPAC2-(1,3-benzodioxol-5-ylmethylamino)-N-naphthalen-1-ylacetamide
SMILESO=C(CNCc1ccc2c(c1)OCO2)Nc1cccc2ccccc12
InChIInChI=1S/C20H18N2O3/c23-20(22-17-7-3-5-15-4-1-2-6-16(15)17)12-21-11-14-8-9-18-19(10-14)25-13-24-18/h1-10,21H,11-13H2,(H,22,23)
InChIKeyOGXMTGPWWLPFSZ-UHFFFAOYSA-N
MW334.38 g/mol
LogP3.30
Rot. Bonds5

About 2-(1,3-benzodioxol-5-ylmethylamino)-N-naphthalen-1-ylacetamide

2-(1,3-benzodioxol-5-ylmethylamino)-N-naphthalen-1-ylacetamide (PubChem CID 43816753) has the molecular formula C20H18N2O3 and a molecular weight of 334.38 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-ylmethylamino)-N-naphthalen-1-ylacetamide.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-ylmethylamino)-N-naphthalen-1-ylacetamide
PubChem CID43816753
Molecular FormulaC20H18N2O3
Molecular Weight334.38 g/mol
Exact Mass334.13
IUPAC Name2-(1,3-benzodioxol-5-ylmethylamino)-N-naphthalen-1-ylacetamide
SMILESO=C(CNCc1ccc2c(c1)OCO2)Nc1cccc2ccccc12
InChIInChI=1S/C20H18N2O3/c23-20(22-17-7-3-5-15-4-1-2-6-16(15)17)12-21-11-14-8-9-18-19(10-14)25-13-24-18/h1-10,21H,11-13H2,(H,22,23)
InChIKeyOGXMTGPWWLPFSZ-UHFFFAOYSA-N
XLogP3.30
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-naphthalen-1-ylacetamide
CID 4235872
2-(1,3-benzodioxol-5-ylmethylamino)-N-(2,6-difluorophenyl)acetamide
CID 108998808
N-[2-(azepan-1-yl)phenyl]-2-(1,3-benzodioxol-5-ylmethylamino)acetamide;oxalic acid
CID 171668708
N-(1,3-benzodioxol-5-yl)-2-[2-(naphthalen-1-ylamino)-2-oxoethyl]sulfanylacetamide
CID 9457994
3-(1,3-benzodioxol-5-ylmethylamino)-N-(2-bromophenyl)propanamide
CID 109022837
N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-fluorophenyl)methylamino]acetamide
CID 108997703
3-(1,3-benzodioxol-5-ylmethylamino)-N-quinolin-8-ylpropanamide
CID 109022845
N-(1,3-benzodioxol-5-ylmethyl)-N'-(2-ethylphenyl)propanediamide
CID 108947205
2-(1,3-benzodioxol-5-ylmethylamino)-N-(pyridin-4-ylmethyl)acetamide
CID 108998669
2-(1,3-benzodioxol-5-ylmethylamino)-N-(3-methoxyphenyl)acetamide
CID 108998752
N-(1,3-benzodioxol-5-ylmethyl)-N'-(2-tert-butylphenyl)propanediamide
CID 108947214
2-(1,3-benzodioxol-5-ylmethylamino)-N-(5-chloro-2-methoxyphenyl)acetamide
CID 108998748

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-ylmethylamino)-N-naphthalen-1-ylacetamide?
The IUPAC name of 2-(1,3-benzodioxol-5-ylmethylamino)-N-naphthalen-1-ylacetamide (CID 43816753) is 2-(1,3-benzodioxol-5-ylmethylamino)-N-naphthalen-1-ylacetamide.
What is the SMILES notation for 2-(1,3-benzodioxol-5-ylmethylamino)-N-naphthalen-1-ylacetamide?
The canonical SMILES for 2-(1,3-benzodioxol-5-ylmethylamino)-N-naphthalen-1-ylacetamide is O=C(CNCc1ccc2c(c1)OCO2)Nc1cccc2ccccc12.
What is the InChIKey of 2-(1,3-benzodioxol-5-ylmethylamino)-N-naphthalen-1-ylacetamide?
The InChIKey is OGXMTGPWWLPFSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O3/c23-20(22-17-7-3-5-15-4-1-2-6-16(15)17)12-21-11-14-8-9-18-19(10-14)25-13-24-18/h1-10,21H,11-13H2,(H,22,23).
What are the key properties of 2-(1,3-benzodioxol-5-ylmethylamino)-N-naphthalen-1-ylacetamide?
2-(1,3-benzodioxol-5-ylmethylamino)-N-naphthalen-1-ylacetamide has a molecular weight of 334.38 g/mol, XLogP of 3.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-ylmethylamino)-N-naphthalen-1-ylacetamide is sourced from PubChem (CID 43816753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).