N-(1,3-benzodioxol-5-ylmethyl)-4-methylbenzamide

C16H15NO3 — CID 876425

IUPACN-(1,3-benzodioxol-5-ylmethyl)-4-methylbenzamide
SMILESCc1ccc(C(=O)NCc2ccc3c(c2)OCO3)cc1
InChIInChI=1S/C16H15NO3/c1-11-2-5-13(6-3-11)16(18)17-9-12-4-7-14-15(8-12)20-10-19-14/h2-8H,9-10H2,1H3,(H,17,18)
InChIKeyZIXDVXSPQRTGOE-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.65
Rot. Bonds3

About N-(1,3-benzodioxol-5-ylmethyl)-4-methylbenzamide

N-(1,3-benzodioxol-5-ylmethyl)-4-methylbenzamide (PubChem CID 876425) has the molecular formula C16H15NO3 and a molecular weight of 269.30 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-4-methylbenzamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-4-methylbenzamide
PubChem CID876425
Molecular FormulaC16H15NO3
Molecular Weight269.30 g/mol
Exact Mass269.11
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-4-methylbenzamide
SMILESCc1ccc(C(=O)NCc2ccc3c(c2)OCO3)cc1
InChIInChI=1S/C16H15NO3/c1-11-2-5-13(6-3-11)16(18)17-9-12-4-7-14-15(8-12)20-10-19-14/h2-8H,9-10H2,1H3,(H,17,18)
InChIKeyZIXDVXSPQRTGOE-UHFFFAOYSA-N
XLogP2.65
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(1,3-benzodioxol-5-ylmethyl)-4-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,3-Benzodioxol-5-yl-1-piperidinylmethanone
CID 1370
N-(1,3-benzodioxol-5-ylmethyl)-2,6-dichlorobenzamide
CID 831629
N-(1-Propylbutyl)-1,3-benzodioxole-5-carboxamide
CID 22831877
N-(2-phenylethyl)-1,3-benzodioxole-5-carboxamide
CID 669595
N-cyclohexyl-1,3-benzodioxole-5-carboxamide
CID 669586
Benzo[1,3]dioxol-5-yl-(4-benzyl-piperidin-1-yl)-methanone
CID 669592
N-(1,3-benzodioxol-5-ylmethyl)-2-chlorobenzamide
CID 689241
3,4-Dimethoxy-N-(phenylmethyl)benzeneacetamide
CID 2253267
Piperazine, 1-benzoyl-4-piperonyl-
CID 201764
Pyrrolidine, 1-(1,3-benzodioxol-5-ylcarbonyl)-
CID 785832
N-[(4-methoxyphenyl)methyl]-4-methylbenzamide
CID 720058
Azepan-1-Yl(1,3-Benzodioxol-5-Yl)Methanone
CID 673374

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-4-methylbenzamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-4-methylbenzamide (CID 876425) is N-(1,3-benzodioxol-5-ylmethyl)-4-methylbenzamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-4-methylbenzamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-4-methylbenzamide is Cc1ccc(C(=O)NCc2ccc3c(c2)OCO3)cc1.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-4-methylbenzamide?
The InChIKey is ZIXDVXSPQRTGOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3/c1-11-2-5-13(6-3-11)16(18)17-9-12-4-7-14-15(8-12)20-10-19-14/h2-8H,9-10H2,1H3,(H,17,18).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-4-methylbenzamide?
N-(1,3-benzodioxol-5-ylmethyl)-4-methylbenzamide has a molecular weight of 269.30 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-4-methylbenzamide is sourced from PubChem (CID 876425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).