N-[2-[acetyl(1,3-benzodioxol-5-ylmethyl)amino]ethyl]-2-methoxybenzamide

C20H22N2O5 — CID 113055103

IUPACN-[2-[acetyl(1,3-benzodioxol-5-ylmethyl)amino]ethyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NCCN(Cc1ccc2c(c1)OCO2)C(C)=O
InChIInChI=1S/C20H22N2O5/c1-14(23)22(12-15-7-8-18-19(11-15)27-13-26-18)10-9-21-20(24)16-5-3-4-6-17(16)25-2/h3-8,11H,9-10,12-13H2,1-2H3,(H,21,24)
InChIKeyZQCQRDQSKAQYNZ-UHFFFAOYSA-N
MW370.41 g/mol
LogP2.20
Rot. Bonds7

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

N-[2-[acetyl(1,3-benzodioxol-5-ylmethyl)amino]ethyl]-2-methoxybenzamide (PubChem CID 113055103) has the molecular formula C20H22N2O5 and a molecular weight of 370.41 g/mol. Its IUPAC name is N-[2-[acetyl(1,3-benzodioxol-5-ylmethyl)amino]ethyl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[2-[acetyl(1,3-benzodioxol-5-ylmethyl)amino]ethyl]-2-methoxybenzamide
PubChem CID113055103
Molecular FormulaC20H22N2O5
Molecular Weight370.41 g/mol
Exact Mass370.15
IUPAC NameN-[2-[acetyl(1,3-benzodioxol-5-ylmethyl)amino]ethyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NCCN(Cc1ccc2c(c1)OCO2)C(C)=O
InChIInChI=1S/C20H22N2O5/c1-14(23)22(12-15-7-8-18-19(11-15)27-13-26-18)10-9-21-20(24)16-5-3-4-6-17(16)25-2/h3-8,11H,9-10,12-13H2,1-2H3,(H,21,24)
InChIKeyZQCQRDQSKAQYNZ-UHFFFAOYSA-N
XLogP2.20
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 ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[acetyl-[(4-fluorophenyl)methyl]amino]ethyl]-2-methoxybenzamide
CID 113054651
N-[2-[acetyl-[(4-methoxyphenyl)methyl]amino]ethyl]-1,3-benzodioxole-5-carboxamide
CID 113055037
N-[2-[acetyl(pyridin-3-ylmethyl)amino]ethyl]-2-methoxybenzamide
CID 113055301
N-[2-[acetyl(1,3-benzodioxol-5-ylmethyl)amino]ethyl]-3-phenylpropanamide
CID 113055114
N-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-2-methoxybenzamide
CID 110787875
N-[2-[acetyl(1,3-benzodioxol-5-ylmethyl)amino]ethyl]-3,4-difluorobenzamide
CID 113055124
N-[2-[acetyl-[2-(dimethylamino)ethyl]amino]ethyl]-2-methoxybenzamide
CID 113053530
N-(1,3-benzodioxol-5-ylmethyl)-N-[2-(propan-2-ylcarbamoylamino)ethyl]acetamide
CID 113055138
[2-(1,3-benzodioxol-5-yl)-2-oxoethyl] 3-[(2-methoxybenzoyl)amino]propanoate
CID 7827570
N-[2-[acetyl(1,3-benzodioxol-5-yl)amino]ethyl]-2-methylbenzamide
CID 113062948
N-(1,3-benzodioxol-5-ylmethyl)-2,6-dimethoxy-N-methylbenzamide
CID 110753656
N-(1,3-benzodioxol-5-ylmethyl)-N-ethylacetamide
CID 60655471

Frequently Asked Questions

What is the IUPAC name of N-[2-[acetyl(1,3-benzodioxol-5-ylmethyl)amino]ethyl]-2-methoxybenzamide?
The IUPAC name of N-[2-[acetyl(1,3-benzodioxol-5-ylmethyl)amino]ethyl]-2-methoxybenzamide (CID 113055103) is N-[2-[acetyl(1,3-benzodioxol-5-ylmethyl)amino]ethyl]-2-methoxybenzamide.
What is the SMILES notation for N-[2-[acetyl(1,3-benzodioxol-5-ylmethyl)amino]ethyl]-2-methoxybenzamide?
The canonical SMILES for N-[2-[acetyl(1,3-benzodioxol-5-ylmethyl)amino]ethyl]-2-methoxybenzamide is COc1ccccc1C(=O)NCCN(Cc1ccc2c(c1)OCO2)C(C)=O.
What is the InChIKey of N-[2-[acetyl(1,3-benzodioxol-5-ylmethyl)amino]ethyl]-2-methoxybenzamide?
The InChIKey is ZQCQRDQSKAQYNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O5/c1-14(23)22(12-15-7-8-18-19(11-15)27-13-26-18)10-9-21-20(24)16-5-3-4-6-17(16)25-2/h3-8,11H,9-10,12-13H2,1-2H3,(H,21,24).
What are the key properties of N-[2-[acetyl(1,3-benzodioxol-5-ylmethyl)amino]ethyl]-2-methoxybenzamide?
N-[2-[acetyl(1,3-benzodioxol-5-ylmethyl)amino]ethyl]-2-methoxybenzamide has a molecular weight of 370.41 g/mol, XLogP of 2.20, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[acetyl(1,3-benzodioxol-5-ylmethyl)amino]ethyl]-2-methoxybenzamide is sourced from PubChem (CID 113055103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).