1-tert-butyl-N-[2-(2,5-dimethoxyphenyl)ethyl]pyrrole-3-carboxamide

C19H26N2O3 — CID 110699024

IUPAC1-tert-butyl-N-[2-(2,5-dimethoxyphenyl)ethyl]pyrrole-3-carboxamide
SMILESCOc1ccc(OC)c(CCNC(=O)c2ccn(C(C)(C)C)c2)c1
InChIInChI=1S/C19H26N2O3/c1-19(2,3)21-11-9-15(13-21)18(22)20-10-8-14-12-16(23-4)6-7-17(14)24-5/h6-7,9,11-13H,8,10H2,1-5H3,(H,20,22)
InChIKeyXLEOPUZHCUWPTD-UHFFFAOYSA-N
MW330.43 g/mol
LogP3.23
Rot. Bonds6

About 1-tert-butyl-N-[2-(2,5-dimethoxyphenyl)ethyl]pyrrole-3-carboxamide

1-tert-butyl-N-[2-(2,5-dimethoxyphenyl)ethyl]pyrrole-3-carboxamide (PubChem CID 110699024) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is 1-tert-butyl-N-[2-(2,5-dimethoxyphenyl)ethyl]pyrrole-3-carboxamide.

Molecular Properties

Compound Name1-tert-butyl-N-[2-(2,5-dimethoxyphenyl)ethyl]pyrrole-3-carboxamide
PubChem CID110699024
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Name1-tert-butyl-N-[2-(2,5-dimethoxyphenyl)ethyl]pyrrole-3-carboxamide
SMILESCOc1ccc(OC)c(CCNC(=O)c2ccn(C(C)(C)C)c2)c1
InChIInChI=1S/C19H26N2O3/c1-19(2,3)21-11-9-15(13-21)18(22)20-10-8-14-12-16(23-4)6-7-17(14)24-5/h6-7,9,11-13H,8,10H2,1-5H3,(H,20,22)
InChIKeyXLEOPUZHCUWPTD-UHFFFAOYSA-N
XLogP3.23
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(aminomethyl)-N-[2-(2,5-dimethoxyphenyl)ethyl]benzamide
CID 119279771
4-tert-butyl-N-[2-[2-(2,5-dimethoxyphenyl)ethylamino]-2-oxoethyl]benzamide
CID 110601136
N-[2-(5-chloro-2-methoxyphenyl)ethyl]-4-methoxybenzamide
CID 110787720
1-N,4-N-bis[(2,5-dimethoxyphenyl)methyl]benzene-1,4-dicarboxamide
CID 46542093
N-[2-(2,5-dimethoxyphenyl)ethyl]-1,2-thiazole-5-carboxamide
CID 110692153
5-[2-(2,5-dimethoxyphenyl)ethylcarbamoyl]pyrazine-2-carboxylic acid
CID 120685272
(2S)-2-amino-N-[2-(2,5-dimethoxyphenyl)ethyl]propanamide;hydrochloride
CID 119279764
N-[2-(5-tert-butyl-2-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 110787845
N-[2-(2,4-dimethoxyphenyl)ethyl]-4-(trifluoromethyl)benzamide
CID 110601493
N-[2-(5-acetamido-2-methoxyphenyl)ethyl]-3-methoxybenzamide
CID 110790375
N-[2-[2-(2,5-dimethoxyphenyl)ethylamino]-2-oxoethyl]-3-fluorobenzamide
CID 110601130
1-tert-butyl-N-(2-oxopropyl)pyrrole-3-carboxamide
CID 154667911

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-N-[2-(2,5-dimethoxyphenyl)ethyl]pyrrole-3-carboxamide?
The IUPAC name of 1-tert-butyl-N-[2-(2,5-dimethoxyphenyl)ethyl]pyrrole-3-carboxamide (CID 110699024) is 1-tert-butyl-N-[2-(2,5-dimethoxyphenyl)ethyl]pyrrole-3-carboxamide.
What is the SMILES notation for 1-tert-butyl-N-[2-(2,5-dimethoxyphenyl)ethyl]pyrrole-3-carboxamide?
The canonical SMILES for 1-tert-butyl-N-[2-(2,5-dimethoxyphenyl)ethyl]pyrrole-3-carboxamide is COc1ccc(OC)c(CCNC(=O)c2ccn(C(C)(C)C)c2)c1.
What is the InChIKey of 1-tert-butyl-N-[2-(2,5-dimethoxyphenyl)ethyl]pyrrole-3-carboxamide?
The InChIKey is XLEOPUZHCUWPTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-19(2,3)21-11-9-15(13-21)18(22)20-10-8-14-12-16(23-4)6-7-17(14)24-5/h6-7,9,11-13H,8,10H2,1-5H3,(H,20,22).
What are the key properties of 1-tert-butyl-N-[2-(2,5-dimethoxyphenyl)ethyl]pyrrole-3-carboxamide?
1-tert-butyl-N-[2-(2,5-dimethoxyphenyl)ethyl]pyrrole-3-carboxamide has a molecular weight of 330.43 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-N-[2-(2,5-dimethoxyphenyl)ethyl]pyrrole-3-carboxamide is sourced from PubChem (CID 110699024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).