N-(3-hydroxy-2,2-dimethylpropyl)-1-propylpyrrole-2-carboxamide

C13H22N2O2 — CID 113294516

IUPACN-(3-hydroxy-2,2-dimethylpropyl)-1-propylpyrrole-2-carboxamide
SMILESCCCn1cccc1C(=O)NCC(C)(C)CO
InChIInChI=1S/C13H22N2O2/c1-4-7-15-8-5-6-11(15)12(17)14-9-13(2,3)10-16/h5-6,8,16H,4,7,9-10H2,1-3H3,(H,14,17)
InChIKeyXJKKNMSXZXQQRR-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.65
Rot. Bonds6

About N-(3-hydroxy-2,2-dimethylpropyl)-1-propylpyrrole-2-carboxamide

N-(3-hydroxy-2,2-dimethylpropyl)-1-propylpyrrole-2-carboxamide (PubChem CID 113294516) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is N-(3-hydroxy-2,2-dimethylpropyl)-1-propylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxy-2,2-dimethylpropyl)-1-propylpyrrole-2-carboxamide
PubChem CID113294516
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC NameN-(3-hydroxy-2,2-dimethylpropyl)-1-propylpyrrole-2-carboxamide
SMILESCCCn1cccc1C(=O)NCC(C)(C)CO
InChIInChI=1S/C13H22N2O2/c1-4-7-15-8-5-6-11(15)12(17)14-9-13(2,3)10-16/h5-6,8,16H,4,7,9-10H2,1-3H3,(H,14,17)
InChIKeyXJKKNMSXZXQQRR-UHFFFAOYSA-N
XLogP1.65
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(3-hydroxy-2,2-dimethylpropyl)-1-propylpyrrole-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-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-1-propylpyrrole-2-carboxamide
CID 114010730
N-[3-(hydroxymethyl)pentan-3-yl]-1-propylpyrrole-2-carboxamide
CID 62520316
N-(2,3-dihydroxypropyl)-1-propylpyrrole-2-carboxamide
CID 66176682
N-(2,3-dihydroxy-2-methylpropyl)-1-(2-methoxyethyl)pyrrole-2-carboxamide
CID 114609704
N-[(2-hydroxyphenyl)methyl]-1-propylpyrrole-2-carboxamide
CID 114332469
2-methyl-2-[(1-propylpyrrole-2-carbonyl)amino]butanoic acid
CID 79792812
N-[[1-(hydroxymethyl)cyclohexyl]methyl]-1-propylpyrrole-2-carboxamide
CID 103968979
1-[[(1-propylpyrrole-2-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 115449375
2-methoxy-3-[(1-propylpyrrole-2-carbonyl)amino]propanoic acid
CID 106108154
3-[[(1-propylpyrrole-2-carbonyl)amino]methyl]benzoic acid
CID 60893878
N-(3-azabicyclo[3.1.0]hexan-6-yl)-1-propylpyrrole-2-carboxamide
CID 43639095
N-[2-(2-hydroxypropylamino)ethyl]-1-propylpyrrole-2-carboxamide
CID 104593851

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-2,2-dimethylpropyl)-1-propylpyrrole-2-carboxamide?
The IUPAC name of N-(3-hydroxy-2,2-dimethylpropyl)-1-propylpyrrole-2-carboxamide (CID 113294516) is N-(3-hydroxy-2,2-dimethylpropyl)-1-propylpyrrole-2-carboxamide.
What is the SMILES notation for N-(3-hydroxy-2,2-dimethylpropyl)-1-propylpyrrole-2-carboxamide?
The canonical SMILES for N-(3-hydroxy-2,2-dimethylpropyl)-1-propylpyrrole-2-carboxamide is CCCn1cccc1C(=O)NCC(C)(C)CO.
What is the InChIKey of N-(3-hydroxy-2,2-dimethylpropyl)-1-propylpyrrole-2-carboxamide?
The InChIKey is XJKKNMSXZXQQRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-4-7-15-8-5-6-11(15)12(17)14-9-13(2,3)10-16/h5-6,8,16H,4,7,9-10H2,1-3H3,(H,14,17).
What are the key properties of N-(3-hydroxy-2,2-dimethylpropyl)-1-propylpyrrole-2-carboxamide?
N-(3-hydroxy-2,2-dimethylpropyl)-1-propylpyrrole-2-carboxamide has a molecular weight of 238.33 g/mol, XLogP of 1.65, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-2,2-dimethylpropyl)-1-propylpyrrole-2-carboxamide is sourced from PubChem (CID 113294516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).