1-methyl-N-(2-phenylethyl)pyrrole-2-carboxamide

C14H16N2O — CID 2542487

IUPAC1-methyl-N-(2-phenylethyl)pyrrole-2-carboxamide
SMILESCn1cccc1C(=O)NCCc1ccccc1
InChIInChI=1S/C14H16N2O/c1-16-11-5-8-13(16)14(17)15-10-9-12-6-3-2-4-7-12/h2-8,11H,9-10H2,1H3,(H,15,17)
InChIKeyPDOPQVBMUMHBGQ-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.00
Rot. Bonds4

About 1-methyl-N-(2-phenylethyl)pyrrole-2-carboxamide

1-methyl-N-(2-phenylethyl)pyrrole-2-carboxamide (PubChem CID 2542487) has the molecular formula C14H16N2O and a molecular weight of 228.30 g/mol. Its IUPAC name is 1-methyl-N-(2-phenylethyl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(2-phenylethyl)pyrrole-2-carboxamide
PubChem CID2542487
Molecular FormulaC14H16N2O
Molecular Weight228.30 g/mol
Exact Mass228.13
IUPAC Name1-methyl-N-(2-phenylethyl)pyrrole-2-carboxamide
SMILESCn1cccc1C(=O)NCCc1ccccc1
InChIInChI=1S/C14H16N2O/c1-16-11-5-8-13(16)14(17)15-10-9-12-6-3-2-4-7-12/h2-8,11H,9-10H2,1H3,(H,15,17)
InChIKeyPDOPQVBMUMHBGQ-UHFFFAOYSA-N
XLogP2.00
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(2-phenylethyl)pyrrole-2-carboxamide?
The IUPAC name of 1-methyl-N-(2-phenylethyl)pyrrole-2-carboxamide (CID 2542487) is 1-methyl-N-(2-phenylethyl)pyrrole-2-carboxamide.
What is the SMILES notation for 1-methyl-N-(2-phenylethyl)pyrrole-2-carboxamide?
The canonical SMILES for 1-methyl-N-(2-phenylethyl)pyrrole-2-carboxamide is Cn1cccc1C(=O)NCCc1ccccc1.
What is the InChIKey of 1-methyl-N-(2-phenylethyl)pyrrole-2-carboxamide?
The InChIKey is PDOPQVBMUMHBGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-16-11-5-8-13(16)14(17)15-10-9-12-6-3-2-4-7-12/h2-8,11H,9-10H2,1H3,(H,15,17).
What are the key properties of 1-methyl-N-(2-phenylethyl)pyrrole-2-carboxamide?
1-methyl-N-(2-phenylethyl)pyrrole-2-carboxamide has a molecular weight of 228.30 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(2-phenylethyl)pyrrole-2-carboxamide is sourced from PubChem (CID 2542487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).