1-cyclopropyl-N-(2-hydroxy-2-naphthalen-2-ylethyl)pyrrole-2-carboxamide

C20H20N2O2 — CID 110007591

IUPAC1-cyclopropyl-N-(2-hydroxy-2-naphthalen-2-ylethyl)pyrrole-2-carboxamide
SMILESO=C(NCC(O)c1ccc2ccccc2c1)c1cccn1C1CC1
InChIInChI=1S/C20H20N2O2/c23-19(16-8-7-14-4-1-2-5-15(14)12-16)13-21-20(24)18-6-3-11-22(18)17-9-10-17/h1-8,11-12,17,19,23H,9-10,13H2,(H,21,24)
InChIKeyXMQMWLADWDXGAE-UHFFFAOYSA-N
MW320.39 g/mol
LogP3.44
Rot. Bonds5

About 1-cyclopropyl-N-(2-hydroxy-2-naphthalen-2-ylethyl)pyrrole-2-carboxamide

1-cyclopropyl-N-(2-hydroxy-2-naphthalen-2-ylethyl)pyrrole-2-carboxamide (PubChem CID 110007591) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is 1-cyclopropyl-N-(2-hydroxy-2-naphthalen-2-ylethyl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-cyclopropyl-N-(2-hydroxy-2-naphthalen-2-ylethyl)pyrrole-2-carboxamide
PubChem CID110007591
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC Name1-cyclopropyl-N-(2-hydroxy-2-naphthalen-2-ylethyl)pyrrole-2-carboxamide
SMILESO=C(NCC(O)c1ccc2ccccc2c1)c1cccn1C1CC1
InChIInChI=1S/C20H20N2O2/c23-19(16-8-7-14-4-1-2-5-15(14)12-16)13-21-20(24)18-6-3-11-22(18)17-9-10-17/h1-8,11-12,17,19,23H,9-10,13H2,(H,21,24)
InChIKeyXMQMWLADWDXGAE-UHFFFAOYSA-N
XLogP3.44
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-1-cyclopropylpyrrole-2-carboxamide
CID 110007533
1-cyclopropyl-N-[(2S)-2-hydroxypropyl]pyrrole-2-carboxamide
CID 83058739
1-cyclopentyl-N-[2-hydroxy-2-(2-methylphenyl)ethyl]pyrrole-2-carboxamide
CID 110007652
1-cyclopropyl-N-ethylpyrrole-2-carboxamide
CID 130688583
1-cyclopropyl-N-(2-hydroxyethyl)pyrrole-2-carboxamide
CID 43639342
N-[(2S)-2-hydroxypropyl]-1-piperidin-4-ylpyrrole-2-carboxamide
CID 107221129
N-(2-hydroxy-2-naphthalen-2-ylethyl)oxane-4-carboxamide
CID 111112227
1-cyclopropyl-N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]pyrrole-2-carboxamide
CID 110007618
(2S)-1-acetyl-N-[(2R)-2-hydroxy-2-naphthalen-2-ylethyl]pyrrolidine-2-carboxamide
CID 97227605
5-cyclopropyl-N-[(2S)-2-hydroxy-2-naphthalen-2-ylethyl]-1H-pyrazole-3-carboxamide
CID 95618402
N-(2-hydroxy-2-naphthalen-2-ylethyl)-2-methylpropanamide
CID 111112159
1-cyclobutyl-N-(2-hydroxy-4-methylpentyl)pyrrole-2-carboxamide
CID 107155325

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-(2-hydroxy-2-naphthalen-2-ylethyl)pyrrole-2-carboxamide?
The IUPAC name of 1-cyclopropyl-N-(2-hydroxy-2-naphthalen-2-ylethyl)pyrrole-2-carboxamide (CID 110007591) is 1-cyclopropyl-N-(2-hydroxy-2-naphthalen-2-ylethyl)pyrrole-2-carboxamide.
What is the SMILES notation for 1-cyclopropyl-N-(2-hydroxy-2-naphthalen-2-ylethyl)pyrrole-2-carboxamide?
The canonical SMILES for 1-cyclopropyl-N-(2-hydroxy-2-naphthalen-2-ylethyl)pyrrole-2-carboxamide is O=C(NCC(O)c1ccc2ccccc2c1)c1cccn1C1CC1.
What is the InChIKey of 1-cyclopropyl-N-(2-hydroxy-2-naphthalen-2-ylethyl)pyrrole-2-carboxamide?
The InChIKey is XMQMWLADWDXGAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2/c23-19(16-8-7-14-4-1-2-5-15(14)12-16)13-21-20(24)18-6-3-11-22(18)17-9-10-17/h1-8,11-12,17,19,23H,9-10,13H2,(H,21,24).
What are the key properties of 1-cyclopropyl-N-(2-hydroxy-2-naphthalen-2-ylethyl)pyrrole-2-carboxamide?
1-cyclopropyl-N-(2-hydroxy-2-naphthalen-2-ylethyl)pyrrole-2-carboxamide has a molecular weight of 320.39 g/mol, XLogP of 3.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-(2-hydroxy-2-naphthalen-2-ylethyl)pyrrole-2-carboxamide is sourced from PubChem (CID 110007591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).