2-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]-N-(1,3-benzodioxol-5-yl)acetamide

C20H22N2O5 — CID 113164923

IUPAC2-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]-N-(1,3-benzodioxol-5-yl)acetamide
SMILESCOc1ccc(CCN(CC(=O)Nc2ccc3c(c2)OCO3)C(C)=O)cc1
InChIInChI=1S/C20H22N2O5/c1-14(23)22(10-9-15-3-6-17(25-2)7-4-15)12-20(24)21-16-5-8-18-19(11-16)27-13-26-18/h3-8,11H,9-10,12-13H2,1-2H3,(H,21,24)
InChIKeyHVKBKJGSBFSDFF-UHFFFAOYSA-N
MW370.41 g/mol
LogP2.45
Rot. Bonds7

About 2-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]-N-(1,3-benzodioxol-5-yl)acetamide

2-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]-N-(1,3-benzodioxol-5-yl)acetamide (PubChem CID 113164923) has the molecular formula C20H22N2O5 and a molecular weight of 370.41 g/mol. Its IUPAC name is 2-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]-N-(1,3-benzodioxol-5-yl)acetamide.

Molecular Properties

Compound Name2-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]-N-(1,3-benzodioxol-5-yl)acetamide
PubChem CID113164923
Molecular FormulaC20H22N2O5
Molecular Weight370.41 g/mol
Exact Mass370.15
IUPAC Name2-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]-N-(1,3-benzodioxol-5-yl)acetamide
SMILESCOc1ccc(CCN(CC(=O)Nc2ccc3c(c2)OCO3)C(C)=O)cc1
InChIInChI=1S/C20H22N2O5/c1-14(23)22(10-9-15-3-6-17(25-2)7-4-15)12-20(24)21-16-5-8-18-19(11-16)27-13-26-18/h3-8,11H,9-10,12-13H2,1-2H3,(H,21,24)
InChIKeyHVKBKJGSBFSDFF-UHFFFAOYSA-N
XLogP2.45
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 113163169
2-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]-N-(4-propan-2-yloxyphenyl)acetamide
CID 113164905
3-[acetyl(1,3-benzodioxol-5-ylmethyl)amino]-N-(4-methoxyphenyl)propanamide
CID 113120117
2-[acetyl-[2-(3,4-dimethoxyphenyl)ethyl]amino]-N-(4-methoxyphenyl)acetamide
CID 113165374
N-[3-(1,3-benzodioxol-5-ylamino)-3-oxopropyl]-3-(4-methoxyphenyl)propanamide
CID 110370645
2-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]-N-(3-cyanophenyl)acetamide
CID 113164937
2-[acetyl(2-methylpropyl)amino]-N-(1,3-benzodioxol-5-yl)acetamide
CID 113158977
2-[acetyl(1,3-benzodioxol-5-ylmethyl)amino]-N-[(4-methoxyphenyl)methyl]acetamide
CID 113163228
N-(1,3-benzodioxol-5-yl)-2-(4-methoxyphenyl)sulfanylacetamide
CID 7992428
2-[acetyl(methyl)amino]-N-(1,3-benzodioxol-5-yl)acetamide
CID 39087396
2-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-methylamino]-N-(4-methoxyphenyl)acetamide
CID 9222934
[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] 4-methoxybenzoate
CID 2510669

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]-N-(1,3-benzodioxol-5-yl)acetamide?
The IUPAC name of 2-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]-N-(1,3-benzodioxol-5-yl)acetamide (CID 113164923) is 2-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]-N-(1,3-benzodioxol-5-yl)acetamide.
What is the SMILES notation for 2-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]-N-(1,3-benzodioxol-5-yl)acetamide?
The canonical SMILES for 2-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]-N-(1,3-benzodioxol-5-yl)acetamide is COc1ccc(CCN(CC(=O)Nc2ccc3c(c2)OCO3)C(C)=O)cc1.
What is the InChIKey of 2-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]-N-(1,3-benzodioxol-5-yl)acetamide?
The InChIKey is HVKBKJGSBFSDFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O5/c1-14(23)22(10-9-15-3-6-17(25-2)7-4-15)12-20(24)21-16-5-8-18-19(11-16)27-13-26-18/h3-8,11H,9-10,12-13H2,1-2H3,(H,21,24).
What are the key properties of 2-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]-N-(1,3-benzodioxol-5-yl)acetamide?
2-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]-N-(1,3-benzodioxol-5-yl)acetamide has a molecular weight of 370.41 g/mol, XLogP of 2.45, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]-N-(1,3-benzodioxol-5-yl)acetamide is sourced from PubChem (CID 113164923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).