N-(1,3-benzodioxol-5-yl)-3,5-dimethoxy-4-methylbenzamide

C17H17NO5 — CID 2640874

IUPACN-(1,3-benzodioxol-5-yl)-3,5-dimethoxy-4-methylbenzamide
SMILESCOc1cc(C(=O)Nc2ccc3c(c2)OCO3)cc(OC)c1C
InChIInChI=1S/C17H17NO5/c1-10-14(20-2)6-11(7-15(10)21-3)17(19)18-12-4-5-13-16(8-12)23-9-22-13/h4-8H,9H2,1-3H3,(H,18,19)
InChIKeyLOKNYDNTSNTPSF-UHFFFAOYSA-N
MW315.33 g/mol
LogP2.99
Rot. Bonds4

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

N-(1,3-benzodioxol-5-yl)-3,5-dimethoxy-4-methylbenzamide (PubChem CID 2640874) has the molecular formula C17H17NO5 and a molecular weight of 315.33 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-3,5-dimethoxy-4-methylbenzamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-3,5-dimethoxy-4-methylbenzamide
PubChem CID2640874
Molecular FormulaC17H17NO5
Molecular Weight315.33 g/mol
Exact Mass315.11
IUPAC NameN-(1,3-benzodioxol-5-yl)-3,5-dimethoxy-4-methylbenzamide
SMILESCOc1cc(C(=O)Nc2ccc3c(c2)OCO3)cc(OC)c1C
InChIInChI=1S/C17H17NO5/c1-10-14(20-2)6-11(7-15(10)21-3)17(19)18-12-4-5-13-16(8-12)23-9-22-13/h4-8H,9H2,1-3H3,(H,18,19)
InChIKeyLOKNYDNTSNTPSF-UHFFFAOYSA-N
XLogP2.99
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dimethoxyphenyl)-1,3-benzodioxole-5-carboxamide
CID 16619123
N-[4-(1,3-benzodioxol-5-ylamino)phenyl]-3,4-dimethoxybenzamide
CID 112989157
N-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-3,4-dimethoxybenzamide
CID 27648546
3,5-dimethoxy-4-methyl-N-(4-methylphenyl)benzamide
CID 2092676
N-(1,3-benzodioxol-5-yl)-2-methoxy-5-phenylbenzamide
CID 110426304
N-(1,3-benzodioxol-5-yl)-3-bromo-5-methoxy-4-phenylmethoxybenzamide
CID 2471016
N-(1,3-benzodioxol-5-yl)-3,5-dibromobenzamide
CID 107980044
N-(1,3-benzodioxol-5-yl)-4-bromo-2-methoxybenzamide
CID 78987803
3-N-(1,3-benzodioxol-5-yl)-1-N-(3-methoxyphenyl)benzene-1,3-dicarboxamide
CID 109057628
N-(1,3-benzodioxol-5-yl)-4-[(4-chlorophenyl)methoxy]-3-methoxybenzamide
CID 26908303
N-(4-methoxy-3-nitrophenyl)-1,3-benzodioxole-5-carboxamide
CID 2205336
N-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-3,5-dimethoxybenzamide
CID 27648551

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-3,5-dimethoxy-4-methylbenzamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-3,5-dimethoxy-4-methylbenzamide (CID 2640874) is N-(1,3-benzodioxol-5-yl)-3,5-dimethoxy-4-methylbenzamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-3,5-dimethoxy-4-methylbenzamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-3,5-dimethoxy-4-methylbenzamide is COc1cc(C(=O)Nc2ccc3c(c2)OCO3)cc(OC)c1C.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-3,5-dimethoxy-4-methylbenzamide?
The InChIKey is LOKNYDNTSNTPSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO5/c1-10-14(20-2)6-11(7-15(10)21-3)17(19)18-12-4-5-13-16(8-12)23-9-22-13/h4-8H,9H2,1-3H3,(H,18,19).
What are the key properties of N-(1,3-benzodioxol-5-yl)-3,5-dimethoxy-4-methylbenzamide?
N-(1,3-benzodioxol-5-yl)-3,5-dimethoxy-4-methylbenzamide has a molecular weight of 315.33 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-3,5-dimethoxy-4-methylbenzamide is sourced from PubChem (CID 2640874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).