3-acetamido-N-(1,3-benzodioxol-5-ylmethyl)-N-methylbenzamide

C18H18N2O4 — CID 51190200

IUPAC3-acetamido-N-(1,3-benzodioxol-5-ylmethyl)-N-methylbenzamide
SMILESCC(=O)Nc1cccc(C(=O)N(C)Cc2ccc3c(c2)OCO3)c1
InChIInChI=1S/C18H18N2O4/c1-12(21)19-15-5-3-4-14(9-15)18(22)20(2)10-13-6-7-16-17(8-13)24-11-23-16/h3-9H,10-11H2,1-2H3,(H,19,21)
InChIKeyLBQDAPNUCKCIEQ-UHFFFAOYSA-N
MW326.35 g/mol
LogP2.65
Rot. Bonds4

About 3-acetamido-N-(1,3-benzodioxol-5-ylmethyl)-N-methylbenzamide

3-acetamido-N-(1,3-benzodioxol-5-ylmethyl)-N-methylbenzamide (PubChem CID 51190200) has the molecular formula C18H18N2O4 and a molecular weight of 326.35 g/mol. Its IUPAC name is 3-acetamido-N-(1,3-benzodioxol-5-ylmethyl)-N-methylbenzamide.

Molecular Properties

Compound Name3-acetamido-N-(1,3-benzodioxol-5-ylmethyl)-N-methylbenzamide
PubChem CID51190200
Molecular FormulaC18H18N2O4
Molecular Weight326.35 g/mol
Exact Mass326.13
IUPAC Name3-acetamido-N-(1,3-benzodioxol-5-ylmethyl)-N-methylbenzamide
SMILESCC(=O)Nc1cccc(C(=O)N(C)Cc2ccc3c(c2)OCO3)c1
InChIInChI=1S/C18H18N2O4/c1-12(21)19-15-5-3-4-14(9-15)18(22)20(2)10-13-6-7-16-17(8-13)24-11-23-16/h3-9H,10-11H2,1-2H3,(H,19,21)
InChIKeyLBQDAPNUCKCIEQ-UHFFFAOYSA-N
XLogP2.65
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-3-(carbamoylamino)-N-methylbenzamide
CID 26444164
N-[3-[1,3-benzodioxol-5-ylmethyl(methyl)carbamoyl]phenyl]furan-2-carboxamide
CID 55822667
3-N-(1,3-benzodioxol-5-ylmethyl)-3-N-methylbenzene-1,3-dicarboxamide
CID 35710064
N-(1,3-benzodioxol-5-ylmethyl)-3-fluoro-N-methylbenzamide
CID 18116210
N-(1,3-benzodioxol-5-ylmethyl)-3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-methylbenzamide
CID 24548619
3-acetamido-N-[(3-chlorophenyl)methyl]-N-methylbenzamide
CID 27795286
1-(3-acetylphenyl)-3-(1,3-benzodioxol-5-ylmethyl)thiourea
CID 8626665
N'-(3-acetylphenyl)-N-(1,3-benzodioxol-5-ylmethyl)oxamide
CID 2989792
N-[3-(1,3-benzodioxol-5-ylmethylamino)phenyl]acetamide
CID 43088004
3-[[2-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]acetyl]amino]-N,N-diethylbenzamide
CID 46458841
N-[3-[2-(1,3-benzodioxol-5-yl)ethylcarbamoylamino]phenyl]acetamide
CID 113217399
N-(1,3-benzodioxol-5-ylmethyl)-4-fluoro-N-methylbenzamide
CID 46653258

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-(1,3-benzodioxol-5-ylmethyl)-N-methylbenzamide?
The IUPAC name of 3-acetamido-N-(1,3-benzodioxol-5-ylmethyl)-N-methylbenzamide (CID 51190200) is 3-acetamido-N-(1,3-benzodioxol-5-ylmethyl)-N-methylbenzamide.
What is the SMILES notation for 3-acetamido-N-(1,3-benzodioxol-5-ylmethyl)-N-methylbenzamide?
The canonical SMILES for 3-acetamido-N-(1,3-benzodioxol-5-ylmethyl)-N-methylbenzamide is CC(=O)Nc1cccc(C(=O)N(C)Cc2ccc3c(c2)OCO3)c1.
What is the InChIKey of 3-acetamido-N-(1,3-benzodioxol-5-ylmethyl)-N-methylbenzamide?
The InChIKey is LBQDAPNUCKCIEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4/c1-12(21)19-15-5-3-4-14(9-15)18(22)20(2)10-13-6-7-16-17(8-13)24-11-23-16/h3-9H,10-11H2,1-2H3,(H,19,21).
What are the key properties of 3-acetamido-N-(1,3-benzodioxol-5-ylmethyl)-N-methylbenzamide?
3-acetamido-N-(1,3-benzodioxol-5-ylmethyl)-N-methylbenzamide has a molecular weight of 326.35 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-(1,3-benzodioxol-5-ylmethyl)-N-methylbenzamide is sourced from PubChem (CID 51190200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).