N-[2-(3,4-dimethoxyphenyl)ethyl]-1H-pyrrole-2-carboxamide

C15H18N2O3 — CID 9404380

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-1H-pyrrole-2-carboxamide
SMILESCOc1ccc(CCNC(=O)c2ccc[nH]2)cc1OC
InChIInChI=1S/C15H18N2O3/c1-19-13-6-5-11(10-14(13)20-2)7-9-17-15(18)12-4-3-8-16-12/h3-6,8,10,16H,7,9H2,1-2H3,(H,17,18)
InChIKeyHSKSHAKJKYCCRK-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.00
Rot. Bonds6

About N-[2-(3,4-dimethoxyphenyl)ethyl]-1H-pyrrole-2-carboxamide

N-[2-(3,4-dimethoxyphenyl)ethyl]-1H-pyrrole-2-carboxamide (PubChem CID 9404380) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-1H-pyrrole-2-carboxamide
PubChem CID9404380
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-1H-pyrrole-2-carboxamide
SMILESCOc1ccc(CCNC(=O)c2ccc[nH]2)cc1OC
InChIInChI=1S/C15H18N2O3/c1-19-13-6-5-11(10-14(13)20-2)7-9-17-15(18)12-4-3-8-16-12/h3-6,8,10,16H,7,9H2,1-2H3,(H,17,18)
InChIKeyHSKSHAKJKYCCRK-UHFFFAOYSA-N
XLogP2.00
TPSA63.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methoxy-4-oxo-1H-pyridine-2-carboxamide
CID 27448407
2-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]benzoic acid
CID 785993
N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide;trihydrate
CID 70552532
N-[2-(3,4-dimethoxyphenyl)ethyl]carbamoyl iodide
CID 163923195
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 19514458
N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(2-methoxyethyl)oxamide
CID 2250640
2-anilino-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide
CID 27232143
N-[2-(3-bromo-4-hydroxyphenyl)ethyl]-1H-pyrrole-2-carboxamide
CID 59187260
2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoacetic acid
CID 10467430
2-N-[2-(3,4-dimethoxyphenyl)ethyl]-6-N-(2-methoxyethyl)pyridine-2,6-dicarboxamide
CID 109095683
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-oxo-1,3-dihydrobenzimidazole-4-carboxamide
CID 110701203
6-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-1H-indole-2-carboxamide
CID 113207545

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-1H-pyrrole-2-carboxamide (CID 9404380) is N-[2-(3,4-dimethoxyphenyl)ethyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-1H-pyrrole-2-carboxamide is COc1ccc(CCNC(=O)c2ccc[nH]2)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-1H-pyrrole-2-carboxamide?
The InChIKey is HSKSHAKJKYCCRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-19-13-6-5-11(10-14(13)20-2)7-9-17-15(18)12-4-3-8-16-12/h3-6,8,10,16H,7,9H2,1-2H3,(H,17,18).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-1H-pyrrole-2-carboxamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-1H-pyrrole-2-carboxamide has a molecular weight of 274.32 g/mol, XLogP of 2.00, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 9404380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).