1-cyclopentyl-N-[2-hydroxy-2-(2-methylphenyl)ethyl]pyrrole-2-carboxamide

C19H24N2O2 — CID 110007652

IUPAC1-cyclopentyl-N-[2-hydroxy-2-(2-methylphenyl)ethyl]pyrrole-2-carboxamide
SMILESCc1ccccc1C(O)CNC(=O)c1cccn1C1CCCC1
InChIInChI=1S/C19H24N2O2/c1-14-7-2-5-10-16(14)18(22)13-20-19(23)17-11-6-12-21(17)15-8-3-4-9-15/h2,5-7,10-12,15,18,22H,3-4,8-9,13H2,1H3,(H,20,23)
InChIKeyMKCVVQYGKGDPCU-UHFFFAOYSA-N
MW312.41 g/mol
LogP3.38
Rot. Bonds5

About 1-cyclopentyl-N-[2-hydroxy-2-(2-methylphenyl)ethyl]pyrrole-2-carboxamide

1-cyclopentyl-N-[2-hydroxy-2-(2-methylphenyl)ethyl]pyrrole-2-carboxamide (PubChem CID 110007652) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is 1-cyclopentyl-N-[2-hydroxy-2-(2-methylphenyl)ethyl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-cyclopentyl-N-[2-hydroxy-2-(2-methylphenyl)ethyl]pyrrole-2-carboxamide
PubChem CID110007652
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name1-cyclopentyl-N-[2-hydroxy-2-(2-methylphenyl)ethyl]pyrrole-2-carboxamide
SMILESCc1ccccc1C(O)CNC(=O)c1cccn1C1CCCC1
InChIInChI=1S/C19H24N2O2/c1-14-7-2-5-10-16(14)18(22)13-20-19(23)17-11-6-12-21(17)15-8-3-4-9-15/h2,5-7,10-12,15,18,22H,3-4,8-9,13H2,1H3,(H,20,23)
InChIKeyMKCVVQYGKGDPCU-UHFFFAOYSA-N
XLogP3.38
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-N-[(2S)-2-hydroxypropyl]pyrrole-2-carboxamide
CID 83058739
1-cyclobutyl-N-(2-hydroxy-4-methylpentyl)pyrrole-2-carboxamide
CID 107155325
1-cyclobutyl-N-(2-cyclopropyl-2-hydroxyethyl)pyrrole-2-carboxamide
CID 114609590
1-cyclopropyl-N-(2-hydroxy-2-naphthalen-2-ylethyl)pyrrole-2-carboxamide
CID 110007591
1-cyclopropyl-N-ethylpyrrole-2-carboxamide
CID 130688583
1-cyclobutyl-N-[2-(2-hydroxypropylamino)ethyl]pyrrole-2-carboxamide
CID 114610660
N-[(2S)-2-hydroxypropyl]-1-piperidin-4-ylpyrrole-2-carboxamide
CID 107221129
1-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)urea
CID 111482945
1-cyclopropyl-N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]pyrrole-2-carboxamide
CID 110007618
N-[2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-1-cyclopropylpyrrole-2-carboxamide
CID 110007533
1-cyclobutyl-N-(4-hydroxypentyl)pyrrole-2-carboxamide
CID 106120457
1-(2-cyclohexylpyrazol-3-yl)-3-[2-hydroxy-2-(2-methylphenyl)ethyl]urea
CID 111120671

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-[2-hydroxy-2-(2-methylphenyl)ethyl]pyrrole-2-carboxamide?
The IUPAC name of 1-cyclopentyl-N-[2-hydroxy-2-(2-methylphenyl)ethyl]pyrrole-2-carboxamide (CID 110007652) is 1-cyclopentyl-N-[2-hydroxy-2-(2-methylphenyl)ethyl]pyrrole-2-carboxamide.
What is the SMILES notation for 1-cyclopentyl-N-[2-hydroxy-2-(2-methylphenyl)ethyl]pyrrole-2-carboxamide?
The canonical SMILES for 1-cyclopentyl-N-[2-hydroxy-2-(2-methylphenyl)ethyl]pyrrole-2-carboxamide is Cc1ccccc1C(O)CNC(=O)c1cccn1C1CCCC1.
What is the InChIKey of 1-cyclopentyl-N-[2-hydroxy-2-(2-methylphenyl)ethyl]pyrrole-2-carboxamide?
The InChIKey is MKCVVQYGKGDPCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-14-7-2-5-10-16(14)18(22)13-20-19(23)17-11-6-12-21(17)15-8-3-4-9-15/h2,5-7,10-12,15,18,22H,3-4,8-9,13H2,1H3,(H,20,23).
What are the key properties of 1-cyclopentyl-N-[2-hydroxy-2-(2-methylphenyl)ethyl]pyrrole-2-carboxamide?
1-cyclopentyl-N-[2-hydroxy-2-(2-methylphenyl)ethyl]pyrrole-2-carboxamide has a molecular weight of 312.41 g/mol, XLogP of 3.38, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-[2-hydroxy-2-(2-methylphenyl)ethyl]pyrrole-2-carboxamide is sourced from PubChem (CID 110007652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).