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

C20H22N2O5 — CID 113163228

IUPAC2-[acetyl(1,3-benzodioxol-5-ylmethyl)amino]-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)CN(Cc2ccc3c(c2)OCO3)C(C)=O)cc1
InChIInChI=1S/C20H22N2O5/c1-14(23)22(11-16-5-8-18-19(9-16)27-13-26-18)12-20(24)21-10-15-3-6-17(25-2)7-4-15/h3-9H,10-13H2,1-2H3,(H,21,24)
InChIKeyACXHFMSKOQRNFL-UHFFFAOYSA-N
MW370.41 g/mol
LogP2.09
Rot. Bonds7

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

2-[acetyl(1,3-benzodioxol-5-ylmethyl)amino]-N-[(4-methoxyphenyl)methyl]acetamide (PubChem CID 113163228) has the molecular formula C20H22N2O5 and a molecular weight of 370.41 g/mol. Its IUPAC name is 2-[acetyl(1,3-benzodioxol-5-ylmethyl)amino]-N-[(4-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[acetyl(1,3-benzodioxol-5-ylmethyl)amino]-N-[(4-methoxyphenyl)methyl]acetamide
PubChem CID113163228
Molecular FormulaC20H22N2O5
Molecular Weight370.41 g/mol
Exact Mass370.15
IUPAC Name2-[acetyl(1,3-benzodioxol-5-ylmethyl)amino]-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)CN(Cc2ccc3c(c2)OCO3)C(C)=O)cc1
InChIInChI=1S/C20H22N2O5/c1-14(23)22(11-16-5-8-18-19(9-16)27-13-26-18)12-20(24)21-10-15-3-6-17(25-2)7-4-15/h3-9H,10-13H2,1-2H3,(H,21,24)
InChIKeyACXHFMSKOQRNFL-UHFFFAOYSA-N
XLogP2.09
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 ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[acetyl(benzyl)amino]-N-(1,3-benzodioxol-5-ylmethyl)acetamide
CID 113161193
2-[acetyl-[(3-methylphenyl)methyl]amino]-N-(1,3-benzodioxol-5-ylmethyl)acetamide
CID 113161585
2-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-benzylacetamide
CID 113163044
N-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-N-[(4-methoxyphenyl)methyl]thiadiazole-4-carboxamide
CID 24792388
3-[acetyl(1,3-benzodioxol-5-ylmethyl)amino]-N-(4-methoxyphenyl)propanamide
CID 113120117
2-[acetyl(1,3-benzodioxol-5-ylmethyl)amino]-N-(pyridin-2-ylmethyl)acetamide
CID 113163231
2-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(1,3-benzodioxol-5-ylmethyl)acetamide
CID 113162169
2-[acetyl(1,3-benzodioxol-5-ylmethyl)amino]-N-[3-(dimethylamino)propyl]acetamide
CID 113163211
2-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 113163169
N-(1,3-benzodioxol-5-ylmethyl)-N-[(4-methoxyphenyl)methyl]-4-methylbenzamide
CID 42724439
2-[acetyl-[2-(4-methoxyphenyl)ethyl]amino]-N-(1,3-benzodioxol-5-yl)acetamide
CID 113164923
N-[2-[acetyl-[(4-methoxyphenyl)methyl]amino]ethyl]-1,3-benzodioxole-5-carboxamide
CID 113055037

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(1,3-benzodioxol-5-ylmethyl)amino]-N-[(4-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-[acetyl(1,3-benzodioxol-5-ylmethyl)amino]-N-[(4-methoxyphenyl)methyl]acetamide (CID 113163228) is 2-[acetyl(1,3-benzodioxol-5-ylmethyl)amino]-N-[(4-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-[acetyl(1,3-benzodioxol-5-ylmethyl)amino]-N-[(4-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-[acetyl(1,3-benzodioxol-5-ylmethyl)amino]-N-[(4-methoxyphenyl)methyl]acetamide is COc1ccc(CNC(=O)CN(Cc2ccc3c(c2)OCO3)C(C)=O)cc1.
What is the InChIKey of 2-[acetyl(1,3-benzodioxol-5-ylmethyl)amino]-N-[(4-methoxyphenyl)methyl]acetamide?
The InChIKey is ACXHFMSKOQRNFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O5/c1-14(23)22(11-16-5-8-18-19(9-16)27-13-26-18)12-20(24)21-10-15-3-6-17(25-2)7-4-15/h3-9H,10-13H2,1-2H3,(H,21,24).
What are the key properties of 2-[acetyl(1,3-benzodioxol-5-ylmethyl)amino]-N-[(4-methoxyphenyl)methyl]acetamide?
2-[acetyl(1,3-benzodioxol-5-ylmethyl)amino]-N-[(4-methoxyphenyl)methyl]acetamide has a molecular weight of 370.41 g/mol, XLogP of 2.09, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(1,3-benzodioxol-5-ylmethyl)amino]-N-[(4-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 113163228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).