N-(2,4-dimethoxyphenyl)-3,5-dimethoxybenzamide

C17H19NO5 — CID 2321450

IUPACN-(2,4-dimethoxyphenyl)-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2ccc(OC)cc2OC)c1
InChIInChI=1S/C17H19NO5/c1-20-12-5-6-15(16(10-12)23-4)18-17(19)11-7-13(21-2)9-14(8-11)22-3/h5-10H,1-4H3,(H,18,19)
InChIKeyMEYNLPQFSDKAAL-UHFFFAOYSA-N
MW317.34 g/mol
LogP2.97
Rot. Bonds6

About N-(2,4-dimethoxyphenyl)-3,5-dimethoxybenzamide

N-(2,4-dimethoxyphenyl)-3,5-dimethoxybenzamide (PubChem CID 2321450) has the molecular formula C17H19NO5 and a molecular weight of 317.34 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-3,5-dimethoxybenzamide
PubChem CID2321450
Molecular FormulaC17H19NO5
Molecular Weight317.34 g/mol
Exact Mass317.13
IUPAC NameN-(2,4-dimethoxyphenyl)-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2ccc(OC)cc2OC)c1
InChIInChI=1S/C17H19NO5/c1-20-12-5-6-15(16(10-12)23-4)18-17(19)11-7-13(21-2)9-14(8-11)22-3/h5-10H,1-4H3,(H,18,19)
InChIKeyMEYNLPQFSDKAAL-UHFFFAOYSA-N
XLogP2.97
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.34
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-3,5-dimethoxybenzamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-3,5-dimethoxybenzamide (CID 2321450) is N-(2,4-dimethoxyphenyl)-3,5-dimethoxybenzamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-3,5-dimethoxybenzamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-3,5-dimethoxybenzamide is COc1cc(OC)cc(C(=O)Nc2ccc(OC)cc2OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-3,5-dimethoxybenzamide?
The InChIKey is MEYNLPQFSDKAAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO5/c1-20-12-5-6-15(16(10-12)23-4)18-17(19)11-7-13(21-2)9-14(8-11)22-3/h5-10H,1-4H3,(H,18,19).
What are the key properties of N-(2,4-dimethoxyphenyl)-3,5-dimethoxybenzamide?
N-(2,4-dimethoxyphenyl)-3,5-dimethoxybenzamide has a molecular weight of 317.34 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-3,5-dimethoxybenzamide is sourced from PubChem (CID 2321450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).