N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methoxybenzamide

C18H21NO4 — CID 824380

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCCc2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C18H21NO4/c1-21-15-7-5-14(6-8-15)18(20)19-11-10-13-4-9-16(22-2)17(12-13)23-3/h4-9,12H,10-11H2,1-3H3,(H,19,20)
InChIKeyAUXHDYMZJNMHKD-UHFFFAOYSA-N
MW315.37 g/mol
LogP2.68
Rot. Bonds7

About N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methoxybenzamide

N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methoxybenzamide (PubChem CID 824380) has the molecular formula C18H21NO4 and a molecular weight of 315.37 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-4-methoxybenzamide
PubChem CID824380
Molecular FormulaC18H21NO4
Molecular Weight315.37 g/mol
Exact Mass315.15
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCCc2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C18H21NO4/c1-21-15-7-5-14(6-8-15)18(20)19-11-10-13-4-9-16(22-2)17(12-13)23-3/h4-9,12H,10-11H2,1-3H3,(H,19,20)
InChIKeyAUXHDYMZJNMHKD-UHFFFAOYSA-N
XLogP2.68
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methoxybenzamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methoxybenzamide (CID 824380) is N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methoxybenzamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methoxybenzamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methoxybenzamide is COc1ccc(C(=O)NCCc2ccc(OC)c(OC)c2)cc1.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methoxybenzamide?
The InChIKey is AUXHDYMZJNMHKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO4/c1-21-15-7-5-14(6-8-15)18(20)19-11-10-13-4-9-16(22-2)17(12-13)23-3/h4-9,12H,10-11H2,1-3H3,(H,19,20).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methoxybenzamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methoxybenzamide has a molecular weight of 315.37 g/mol, XLogP of 2.68, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methoxybenzamide is sourced from PubChem (CID 824380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).