N-[[2-(hydroxymethyl)phenyl]methyl]-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide

C18H24N2O2 — CID 110909012

IUPACN-[[2-(hydroxymethyl)phenyl]methyl]-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide
SMILESCc1cc(C(=O)NCc2ccccc2CO)c(C)n1C(C)C
InChIInChI=1S/C18H24N2O2/c1-12(2)20-13(3)9-17(14(20)4)18(22)19-10-15-7-5-6-8-16(15)11-21/h5-9,12,21H,10-11H2,1-4H3,(H,19,22)
InChIKeyDWUFBJDLUHJFBB-UHFFFAOYSA-N
MW300.40 g/mol
LogP3.11
Rot. Bonds5

About N-[[2-(hydroxymethyl)phenyl]methyl]-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide

N-[[2-(hydroxymethyl)phenyl]methyl]-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide (PubChem CID 110909012) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is N-[[2-(hydroxymethyl)phenyl]methyl]-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[[2-(hydroxymethyl)phenyl]methyl]-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide
PubChem CID110909012
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC NameN-[[2-(hydroxymethyl)phenyl]methyl]-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide
SMILESCc1cc(C(=O)NCc2ccccc2CO)c(C)n1C(C)C
InChIInChI=1S/C18H24N2O2/c1-12(2)20-13(3)9-17(14(20)4)18(22)19-10-15-7-5-6-8-16(15)11-21/h5-9,12,21H,10-11H2,1-4H3,(H,19,22)
InChIKeyDWUFBJDLUHJFBB-UHFFFAOYSA-N
XLogP3.11
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[[2-(hydroxymethyl)phenyl]methyl]-2,5-dimethyl-1-propan-2-ylpyrrole-3-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-(2,2-diphenylpropyl)-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide
CID 18208847
N-[[4-(1-aminocyclopropyl)phenyl]methyl]-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide
CID 118902313
2-hydroxy-N-[[2-(hydroxymethyl)phenyl]methyl]-3-methylbenzamide
CID 110909044
N-(3-methoxypropyl)-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide
CID 110698914
2-[2-[(2,5-dimethyl-1-propan-2-ylpyrrole-3-carbonyl)amino]ethylsulfanyl]acetic acid
CID 119242611
1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-(2-ethylanilino)ethanone
CID 110654070
2-(benzylamino)-1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)ethanone
CID 110654006
N-[(2-fluorophenyl)methyl]-N,2,5-trimethyl-1-propan-2-ylpyrrole-3-carboxamide
CID 112789852
N-[(2-hydroxycyclopentyl)methyl]-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide
CID 111471329
N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide
CID 47933184
2,5-dimethyl-N'-(4-methylbenzoyl)-1-propan-2-ylpyrrole-3-carbohydrazide
CID 9476103
N-[(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)methyl]pyridine-3-carboxamide;hydrochloride
CID 110786266

Frequently Asked Questions

What is the IUPAC name of N-[[2-(hydroxymethyl)phenyl]methyl]-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide?
The IUPAC name of N-[[2-(hydroxymethyl)phenyl]methyl]-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide (CID 110909012) is N-[[2-(hydroxymethyl)phenyl]methyl]-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide.
What is the SMILES notation for N-[[2-(hydroxymethyl)phenyl]methyl]-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide?
The canonical SMILES for N-[[2-(hydroxymethyl)phenyl]methyl]-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide is Cc1cc(C(=O)NCc2ccccc2CO)c(C)n1C(C)C.
What is the InChIKey of N-[[2-(hydroxymethyl)phenyl]methyl]-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide?
The InChIKey is DWUFBJDLUHJFBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-12(2)20-13(3)9-17(14(20)4)18(22)19-10-15-7-5-6-8-16(15)11-21/h5-9,12,21H,10-11H2,1-4H3,(H,19,22).
What are the key properties of N-[[2-(hydroxymethyl)phenyl]methyl]-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide?
N-[[2-(hydroxymethyl)phenyl]methyl]-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide has a molecular weight of 300.40 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(hydroxymethyl)phenyl]methyl]-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide is sourced from PubChem (CID 110909012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).