4-acetyl-N-(2-methoxyethyl)-3,5-dimethyl-N-(2-methylpropyl)-1H-pyrrole-2-carboxamide

C16H26N2O3 — CID 32953599

IUPAC4-acetyl-N-(2-methoxyethyl)-3,5-dimethyl-N-(2-methylpropyl)-1H-pyrrole-2-carboxamide
SMILESCOCCN(CC(C)C)C(=O)c1[nH]c(C)c(C(C)=O)c1C
InChIInChI=1S/C16H26N2O3/c1-10(2)9-18(7-8-21-6)16(20)15-11(3)14(13(5)19)12(4)17-15/h10,17H,7-9H2,1-6H3
InChIKeyRGVPMEUMVXUVAC-UHFFFAOYSA-N
MW294.39 g/mol
LogP2.58
Rot. Bonds7

About 4-acetyl-N-(2-methoxyethyl)-3,5-dimethyl-N-(2-methylpropyl)-1H-pyrrole-2-carboxamide

4-acetyl-N-(2-methoxyethyl)-3,5-dimethyl-N-(2-methylpropyl)-1H-pyrrole-2-carboxamide (PubChem CID 32953599) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is 4-acetyl-N-(2-methoxyethyl)-3,5-dimethyl-N-(2-methylpropyl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-acetyl-N-(2-methoxyethyl)-3,5-dimethyl-N-(2-methylpropyl)-1H-pyrrole-2-carboxamide
PubChem CID32953599
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC Name4-acetyl-N-(2-methoxyethyl)-3,5-dimethyl-N-(2-methylpropyl)-1H-pyrrole-2-carboxamide
SMILESCOCCN(CC(C)C)C(=O)c1[nH]c(C)c(C(C)=O)c1C
InChIInChI=1S/C16H26N2O3/c1-10(2)9-18(7-8-21-6)16(20)15-11(3)14(13(5)19)12(4)17-15/h10,17H,7-9H2,1-6H3
InChIKeyRGVPMEUMVXUVAC-UHFFFAOYSA-N
XLogP2.58
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-(2-methoxyethyl)-3,5-dimethyl-N-(2-methylpropyl)-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-acetyl-N-(2-methoxyethyl)-3,5-dimethyl-N-(2-methylpropyl)-1H-pyrrole-2-carboxamide (CID 32953599) is 4-acetyl-N-(2-methoxyethyl)-3,5-dimethyl-N-(2-methylpropyl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-acetyl-N-(2-methoxyethyl)-3,5-dimethyl-N-(2-methylpropyl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-acetyl-N-(2-methoxyethyl)-3,5-dimethyl-N-(2-methylpropyl)-1H-pyrrole-2-carboxamide is COCCN(CC(C)C)C(=O)c1[nH]c(C)c(C(C)=O)c1C.
What is the InChIKey of 4-acetyl-N-(2-methoxyethyl)-3,5-dimethyl-N-(2-methylpropyl)-1H-pyrrole-2-carboxamide?
The InChIKey is RGVPMEUMVXUVAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-10(2)9-18(7-8-21-6)16(20)15-11(3)14(13(5)19)12(4)17-15/h10,17H,7-9H2,1-6H3.
What are the key properties of 4-acetyl-N-(2-methoxyethyl)-3,5-dimethyl-N-(2-methylpropyl)-1H-pyrrole-2-carboxamide?
4-acetyl-N-(2-methoxyethyl)-3,5-dimethyl-N-(2-methylpropyl)-1H-pyrrole-2-carboxamide has a molecular weight of 294.39 g/mol, XLogP of 2.58, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-(2-methoxyethyl)-3,5-dimethyl-N-(2-methylpropyl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 32953599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).