N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-1-methyl-5-phenylpyrrole-2-carboxamide

C18H24N2O3 — CID 110003040

IUPACN-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-1-methyl-5-phenylpyrrole-2-carboxamide
SMILESCOCC(C)(CCO)NC(=O)c1ccc(-c2ccccc2)n1C
InChIInChI=1S/C18H24N2O3/c1-18(11-12-21,13-23-3)19-17(22)16-10-9-15(20(16)2)14-7-5-4-6-8-14/h4-10,21H,11-13H2,1-3H3,(H,19,22)
InChIKeyOWRGWYRDGHQAKQ-UHFFFAOYSA-N
MW316.40 g/mol
LogP2.21
Rot. Bonds7

About N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-1-methyl-5-phenylpyrrole-2-carboxamide

N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-1-methyl-5-phenylpyrrole-2-carboxamide (PubChem CID 110003040) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-1-methyl-5-phenylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-1-methyl-5-phenylpyrrole-2-carboxamide
PubChem CID110003040
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC NameN-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-1-methyl-5-phenylpyrrole-2-carboxamide
SMILESCOCC(C)(CCO)NC(=O)c1ccc(-c2ccccc2)n1C
InChIInChI=1S/C18H24N2O3/c1-18(11-12-21,13-23-3)19-17(22)16-10-9-15(20(16)2)14-7-5-4-6-8-14/h4-10,21H,11-13H2,1-3H3,(H,19,22)
InChIKeyOWRGWYRDGHQAKQ-UHFFFAOYSA-N
XLogP2.21
TPSA63.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-1-methyl-5-phenylpyrrole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 110002893
N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)naphthalene-2-carboxamide
CID 110003171
4-fluoro-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)benzamide
CID 110002940
N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-3,4-dimethylbenzamide
CID 110003023
(E)-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-3-phenylprop-2-enamide
CID 110002768
N-[(2S)-1-amino-4-methoxy-1-oxobutan-2-yl]-1-methyl-5-phenylpyrrole-2-carboxamide
CID 97259024
N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-5-methylthiophene-2-carboxamide
CID 110003162
4-fluoro-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-3,5-dimethylbenzamide
CID 110002811
2-chloro-3-fluoro-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)benzamide
CID 110002736
N-[2-(methanesulfonamido)-2-methylpropyl]-1-methyl-5-phenylpyrrole-2-carboxamide
CID 71999437
(E)-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-3-(1-methylindol-3-yl)prop-2-enamide
CID 110002949
4-methoxy-3-methyl-3-[(3-phenylphenyl)methylamino]butan-1-ol
CID 111825010

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-1-methyl-5-phenylpyrrole-2-carboxamide?
The IUPAC name of N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-1-methyl-5-phenylpyrrole-2-carboxamide (CID 110003040) is N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-1-methyl-5-phenylpyrrole-2-carboxamide.
What is the SMILES notation for N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-1-methyl-5-phenylpyrrole-2-carboxamide?
The canonical SMILES for N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-1-methyl-5-phenylpyrrole-2-carboxamide is COCC(C)(CCO)NC(=O)c1ccc(-c2ccccc2)n1C.
What is the InChIKey of N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-1-methyl-5-phenylpyrrole-2-carboxamide?
The InChIKey is OWRGWYRDGHQAKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-18(11-12-21,13-23-3)19-17(22)16-10-9-15(20(16)2)14-7-5-4-6-8-14/h4-10,21H,11-13H2,1-3H3,(H,19,22).
What are the key properties of N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-1-methyl-5-phenylpyrrole-2-carboxamide?
N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-1-methyl-5-phenylpyrrole-2-carboxamide has a molecular weight of 316.40 g/mol, XLogP of 2.21, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-1-methyl-5-phenylpyrrole-2-carboxamide is sourced from PubChem (CID 110003040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).