N-[2-(3,4-dimethoxyphenyl)ethyl]-3,5-dimethyl-1-prop-2-enylpyrrole-2-carboxamide

C20H26N2O3 — CID 42789526

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-3,5-dimethyl-1-prop-2-enylpyrrole-2-carboxamide
SMILESC=CCn1c(C)cc(C)c1C(=O)NCCc1ccc(OC)c(OC)c1
InChIInChI=1S/C20H26N2O3/c1-6-11-22-15(3)12-14(2)19(22)20(23)21-10-9-16-7-8-17(24-4)18(13-16)25-5/h6-8,12-13H,1,9-11H2,2-5H3,(H,21,23)
InChIKeyFIGFDKCTIGJIME-UHFFFAOYSA-N
MW342.44 g/mol
LogP3.28
Rot. Bonds8

About N-[2-(3,4-dimethoxyphenyl)ethyl]-3,5-dimethyl-1-prop-2-enylpyrrole-2-carboxamide

N-[2-(3,4-dimethoxyphenyl)ethyl]-3,5-dimethyl-1-prop-2-enylpyrrole-2-carboxamide (PubChem CID 42789526) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-3,5-dimethyl-1-prop-2-enylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-3,5-dimethyl-1-prop-2-enylpyrrole-2-carboxamide
PubChem CID42789526
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-3,5-dimethyl-1-prop-2-enylpyrrole-2-carboxamide
SMILESC=CCn1c(C)cc(C)c1C(=O)NCCc1ccc(OC)c(OC)c1
InChIInChI=1S/C20H26N2O3/c1-6-11-22-15(3)12-14(2)19(22)20(23)21-10-9-16-7-8-17(24-4)18(13-16)25-5/h6-8,12-13H,1,9-11H2,2-5H3,(H,21,23)
InChIKeyFIGFDKCTIGJIME-UHFFFAOYSA-N
XLogP3.28
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)ethyl]-1,2,5-trimethylpyrrole-3-carboxamide
CID 110691269
N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide;trihydrate
CID 70552532
N-[2-(3,4-dimethoxyphenyl)ethyl]carbamoyl iodide
CID 163923195
5-acetyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
CID 22518846
3-bromo-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-methylindole-2-carboxamide
CID 46435379
1-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-N-(3-methylbutyl)benzene-1,4-dicarboxamide
CID 109048227
N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(2-methoxyethyl)oxamide
CID 2250640
2,2,2-trichloro-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 885653
2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoacetic acid
CID 10467430
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methyl-1-phenylpyrazole-3-carboxamide
CID 110372761
N-[2-(3,4-dimethoxyphenyl)ethyl]-6-(prop-2-enylamino)pyrimidine-4-carboxamide
CID 109339467
4-(aminomethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide;hydrochloride
CID 119263813

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-3,5-dimethyl-1-prop-2-enylpyrrole-2-carboxamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-3,5-dimethyl-1-prop-2-enylpyrrole-2-carboxamide (CID 42789526) is N-[2-(3,4-dimethoxyphenyl)ethyl]-3,5-dimethyl-1-prop-2-enylpyrrole-2-carboxamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-3,5-dimethyl-1-prop-2-enylpyrrole-2-carboxamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-3,5-dimethyl-1-prop-2-enylpyrrole-2-carboxamide is C=CCn1c(C)cc(C)c1C(=O)NCCc1ccc(OC)c(OC)c1.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-3,5-dimethyl-1-prop-2-enylpyrrole-2-carboxamide?
The InChIKey is FIGFDKCTIGJIME-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-6-11-22-15(3)12-14(2)19(22)20(23)21-10-9-16-7-8-17(24-4)18(13-16)25-5/h6-8,12-13H,1,9-11H2,2-5H3,(H,21,23).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-3,5-dimethyl-1-prop-2-enylpyrrole-2-carboxamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-3,5-dimethyl-1-prop-2-enylpyrrole-2-carboxamide has a molecular weight of 342.44 g/mol, XLogP of 3.28, 8 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]-3,5-dimethyl-1-prop-2-enylpyrrole-2-carboxamide is sourced from PubChem (CID 42789526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).