4-(4-methoxybenzoyl)-N-(oxolan-2-ylmethyl)-1H-pyrrole-2-carboxamide

C18H20N2O4 — CID 3727855

IUPAC4-(4-methoxybenzoyl)-N-(oxolan-2-ylmethyl)-1H-pyrrole-2-carboxamide
SMILESCOc1ccc(C(=O)c2c[nH]c(C(=O)NCC3CCCO3)c2)cc1
InChIInChI=1S/C18H20N2O4/c1-23-14-6-4-12(5-7-14)17(21)13-9-16(19-10-13)18(22)20-11-15-3-2-8-24-15/h4-7,9-10,15,19H,2-3,8,11H2,1H3,(H,20,22)
InChIKeyPYXIVHMLONCDGD-UHFFFAOYSA-N
MW328.37 g/mol
LogP2.16
Rot. Bonds6

About 4-(4-methoxybenzoyl)-N-(oxolan-2-ylmethyl)-1H-pyrrole-2-carboxamide

4-(4-methoxybenzoyl)-N-(oxolan-2-ylmethyl)-1H-pyrrole-2-carboxamide (PubChem CID 3727855) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is 4-(4-methoxybenzoyl)-N-(oxolan-2-ylmethyl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-(4-methoxybenzoyl)-N-(oxolan-2-ylmethyl)-1H-pyrrole-2-carboxamide
PubChem CID3727855
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Name4-(4-methoxybenzoyl)-N-(oxolan-2-ylmethyl)-1H-pyrrole-2-carboxamide
SMILESCOc1ccc(C(=O)c2c[nH]c(C(=O)NCC3CCCO3)c2)cc1
InChIInChI=1S/C18H20N2O4/c1-23-14-6-4-12(5-7-14)17(21)13-9-16(19-10-13)18(22)20-11-15-3-2-8-24-15/h4-7,9-10,15,19H,2-3,8,11H2,1H3,(H,20,22)
InChIKeyPYXIVHMLONCDGD-UHFFFAOYSA-N
XLogP2.16
TPSA80.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxybenzoyl)-N-(oxolan-2-ylmethyl)-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-(4-methoxybenzoyl)-N-(oxolan-2-ylmethyl)-1H-pyrrole-2-carboxamide (CID 3727855) is 4-(4-methoxybenzoyl)-N-(oxolan-2-ylmethyl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-(4-methoxybenzoyl)-N-(oxolan-2-ylmethyl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-(4-methoxybenzoyl)-N-(oxolan-2-ylmethyl)-1H-pyrrole-2-carboxamide is COc1ccc(C(=O)c2c[nH]c(C(=O)NCC3CCCO3)c2)cc1.
What is the InChIKey of 4-(4-methoxybenzoyl)-N-(oxolan-2-ylmethyl)-1H-pyrrole-2-carboxamide?
The InChIKey is PYXIVHMLONCDGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-23-14-6-4-12(5-7-14)17(21)13-9-16(19-10-13)18(22)20-11-15-3-2-8-24-15/h4-7,9-10,15,19H,2-3,8,11H2,1H3,(H,20,22).
What are the key properties of 4-(4-methoxybenzoyl)-N-(oxolan-2-ylmethyl)-1H-pyrrole-2-carboxamide?
4-(4-methoxybenzoyl)-N-(oxolan-2-ylmethyl)-1H-pyrrole-2-carboxamide has a molecular weight of 328.37 g/mol, XLogP of 2.16, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxybenzoyl)-N-(oxolan-2-ylmethyl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 3727855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).