3,4-dimethoxy-N-(2-pyrrol-1-ylethyl)benzamide

C15H18N2O3 — CID 110716250

IUPAC3,4-dimethoxy-N-(2-pyrrol-1-ylethyl)benzamide
SMILESCOc1ccc(C(=O)NCCn2cccc2)cc1OC
InChIInChI=1S/C15H18N2O3/c1-19-13-6-5-12(11-14(13)20-2)15(18)16-7-10-17-8-3-4-9-17/h3-6,8-9,11H,7,10H2,1-2H3,(H,16,18)
InChIKeyUDXOOHHSAPKVSC-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.94
Rot. Bonds6

About 3,4-dimethoxy-N-(2-pyrrol-1-ylethyl)benzamide

3,4-dimethoxy-N-(2-pyrrol-1-ylethyl)benzamide (PubChem CID 110716250) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 3,4-dimethoxy-N-(2-pyrrol-1-ylethyl)benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-(2-pyrrol-1-ylethyl)benzamide
PubChem CID110716250
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name3,4-dimethoxy-N-(2-pyrrol-1-ylethyl)benzamide
SMILESCOc1ccc(C(=O)NCCn2cccc2)cc1OC
InChIInChI=1S/C15H18N2O3/c1-19-13-6-5-12(11-14(13)20-2)15(18)16-7-10-17-8-3-4-9-17/h3-6,8-9,11H,7,10H2,1-2H3,(H,16,18)
InChIKeyUDXOOHHSAPKVSC-UHFFFAOYSA-N
XLogP1.94
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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4,7-dimethoxy-N-(2-pyrrol-1-ylethyl)-1H-indole-2-carboxamide
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N-(2-aminooxyethyl)-3,4-dimethoxybenzamide
CID 92931840
N-[2-(ethylamino)ethyl]-3,4-dimethoxybenzamide
CID 55100526
2-(2-methoxyethoxy)-N-(2-pyrrol-1-ylethyl)pyridine-4-carboxamide
CID 121017346
3,4-dimethoxy-N-octadecylbenzamide
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3,4-dimethoxy-N-[2-(2-methylprop-2-enoylamino)ethyl]benzamide
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N-(3-aminobutyl)-3,4-dimethoxybenzamide
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N-[3-(3,4-dimethoxyphenyl)propyl]-3,4-dimethoxybenzamide
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N-[2-(cyclopropanecarbonylamino)ethyl]-3,4-dimethoxybenzamide
CID 32968765
N-[2-(2-fluorophenoxy)ethyl]-3,4-dimethoxybenzamide
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CID 108935130

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-(2-pyrrol-1-ylethyl)benzamide?
The IUPAC name of 3,4-dimethoxy-N-(2-pyrrol-1-ylethyl)benzamide (CID 110716250) is 3,4-dimethoxy-N-(2-pyrrol-1-ylethyl)benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-(2-pyrrol-1-ylethyl)benzamide?
The canonical SMILES for 3,4-dimethoxy-N-(2-pyrrol-1-ylethyl)benzamide is COc1ccc(C(=O)NCCn2cccc2)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-(2-pyrrol-1-ylethyl)benzamide?
The InChIKey is UDXOOHHSAPKVSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-19-13-6-5-12(11-14(13)20-2)15(18)16-7-10-17-8-3-4-9-17/h3-6,8-9,11H,7,10H2,1-2H3,(H,16,18).
What are the key properties of 3,4-dimethoxy-N-(2-pyrrol-1-ylethyl)benzamide?
3,4-dimethoxy-N-(2-pyrrol-1-ylethyl)benzamide has a molecular weight of 274.32 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-(2-pyrrol-1-ylethyl)benzamide is sourced from PubChem (CID 110716250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).