1-benzoyl-N-(cyclopropylmethyl)-5-(2-methylpropyl)-2H-pyrrole-5-carboxamide

C20H26N2O2 — CID 5459663

IUPAC1-benzoyl-N-(cyclopropylmethyl)-5-(2-methylpropyl)-2H-pyrrole-5-carboxamide
SMILESCC(C)CC1(C(=O)NCC2CC2)C=CCN1C(=O)c1ccccc1
InChIInChI=1S/C20H26N2O2/c1-15(2)13-20(19(24)21-14-16-9-10-16)11-6-12-22(20)18(23)17-7-4-3-5-8-17/h3-8,11,15-16H,9-10,12-14H2,1-2H3,(H,21,24)
InChIKeyNMMWODNBPKJUBV-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.01
Rot. Bonds6

About 1-benzoyl-N-(cyclopropylmethyl)-5-(2-methylpropyl)-2H-pyrrole-5-carboxamide

1-benzoyl-N-(cyclopropylmethyl)-5-(2-methylpropyl)-2H-pyrrole-5-carboxamide (PubChem CID 5459663) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 1-benzoyl-N-(cyclopropylmethyl)-5-(2-methylpropyl)-2H-pyrrole-5-carboxamide.

Molecular Properties

Compound Name1-benzoyl-N-(cyclopropylmethyl)-5-(2-methylpropyl)-2H-pyrrole-5-carboxamide
PubChem CID5459663
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name1-benzoyl-N-(cyclopropylmethyl)-5-(2-methylpropyl)-2H-pyrrole-5-carboxamide
SMILESCC(C)CC1(C(=O)NCC2CC2)C=CCN1C(=O)c1ccccc1
InChIInChI=1S/C20H26N2O2/c1-15(2)13-20(19(24)21-14-16-9-10-16)11-6-12-22(20)18(23)17-7-4-3-5-8-17/h3-8,11,15-16H,9-10,12-14H2,1-2H3,(H,21,24)
InChIKeyNMMWODNBPKJUBV-UHFFFAOYSA-N
XLogP3.01
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-benzoyl-N-(cyclopropylmethyl)-5-(2-methylpropyl)-2H-pyrrole-5-carboxamide?
The IUPAC name of 1-benzoyl-N-(cyclopropylmethyl)-5-(2-methylpropyl)-2H-pyrrole-5-carboxamide (CID 5459663) is 1-benzoyl-N-(cyclopropylmethyl)-5-(2-methylpropyl)-2H-pyrrole-5-carboxamide.
What is the SMILES notation for 1-benzoyl-N-(cyclopropylmethyl)-5-(2-methylpropyl)-2H-pyrrole-5-carboxamide?
The canonical SMILES for 1-benzoyl-N-(cyclopropylmethyl)-5-(2-methylpropyl)-2H-pyrrole-5-carboxamide is CC(C)CC1(C(=O)NCC2CC2)C=CCN1C(=O)c1ccccc1.
What is the InChIKey of 1-benzoyl-N-(cyclopropylmethyl)-5-(2-methylpropyl)-2H-pyrrole-5-carboxamide?
The InChIKey is NMMWODNBPKJUBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-15(2)13-20(19(24)21-14-16-9-10-16)11-6-12-22(20)18(23)17-7-4-3-5-8-17/h3-8,11,15-16H,9-10,12-14H2,1-2H3,(H,21,24).
What are the key properties of 1-benzoyl-N-(cyclopropylmethyl)-5-(2-methylpropyl)-2H-pyrrole-5-carboxamide?
1-benzoyl-N-(cyclopropylmethyl)-5-(2-methylpropyl)-2H-pyrrole-5-carboxamide has a molecular weight of 326.44 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzoyl-N-(cyclopropylmethyl)-5-(2-methylpropyl)-2H-pyrrole-5-carboxamide is sourced from PubChem (CID 5459663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).