N-(4-hydroxy-1-methoxybutan-2-yl)-1-methylpyrrole-2-carboxamide

C11H18N2O3 — CID 103799438

IUPACN-(4-hydroxy-1-methoxybutan-2-yl)-1-methylpyrrole-2-carboxamide
SMILESCOCC(CCO)NC(=O)c1cccn1C
InChIInChI=1S/C11H18N2O3/c1-13-6-3-4-10(13)11(15)12-9(5-7-14)8-16-2/h3-4,6,9,14H,5,7-8H2,1-2H3,(H,12,15)
InChIKeyMIVBKKRFCZCTGF-UHFFFAOYSA-N
MW226.28 g/mol
LogP0.15
Rot. Bonds6

About N-(4-hydroxy-1-methoxybutan-2-yl)-1-methylpyrrole-2-carboxamide

N-(4-hydroxy-1-methoxybutan-2-yl)-1-methylpyrrole-2-carboxamide (PubChem CID 103799438) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is N-(4-hydroxy-1-methoxybutan-2-yl)-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxy-1-methoxybutan-2-yl)-1-methylpyrrole-2-carboxamide
PubChem CID103799438
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC NameN-(4-hydroxy-1-methoxybutan-2-yl)-1-methylpyrrole-2-carboxamide
SMILESCOCC(CCO)NC(=O)c1cccn1C
InChIInChI=1S/C11H18N2O3/c1-13-6-3-4-10(13)11(15)12-9(5-7-14)8-16-2/h3-4,6,9,14H,5,7-8H2,1-2H3,(H,12,15)
InChIKeyMIVBKKRFCZCTGF-UHFFFAOYSA-N
XLogP0.15
TPSA63.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-hydroxy-4,4-dimethylpentan-3-yl)-1-methylpyrrole-2-carboxamide
CID 103940864
N-(4-hydroxy-1-methoxybutan-2-yl)-1-methyl-6-oxopyridazine-3-carboxamide
CID 113264465
N-(4-hydroxy-1-methoxybutan-2-yl)pyridine-4-carboxamide
CID 103799473
(2S)-2-[(1-methylpyrrole-2-carbonyl)amino]propanoic acid
CID 28741274
1-ethyl-N-(1-hydroxy-4-methoxybutan-2-yl)pyrrole-2-carboxamide
CID 114211275
4-bromo-N-(4-hydroxy-1-methoxybutan-2-yl)-1-propan-2-ylpyrrole-2-carboxamide
CID 113264472
N-(4-hydroxy-1-methoxybutan-2-yl)-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
CID 103799623
N-(4-hydroxy-1-methoxybutan-2-yl)-2,3,4,5,6-pentamethylbenzamide
CID 106154208
N-(1-amino-4-methylpentan-2-yl)-1-methylpyrrole-2-carboxamide;hydrochloride
CID 119588537
N-[2-(4-hydroxybutan-2-ylsulfanyl)acetyl]-1-methylpyrrole-2-carboxamide
CID 66135920
3-amino-N-(4-hydroxy-1-methoxybutan-2-yl)-2-methylbenzamide
CID 106152007
2-bromo-N-(4-hydroxy-1-methoxybutan-2-yl)-3-methylbenzamide
CID 103855412

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-1-methoxybutan-2-yl)-1-methylpyrrole-2-carboxamide?
The IUPAC name of N-(4-hydroxy-1-methoxybutan-2-yl)-1-methylpyrrole-2-carboxamide (CID 103799438) is N-(4-hydroxy-1-methoxybutan-2-yl)-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for N-(4-hydroxy-1-methoxybutan-2-yl)-1-methylpyrrole-2-carboxamide?
The canonical SMILES for N-(4-hydroxy-1-methoxybutan-2-yl)-1-methylpyrrole-2-carboxamide is COCC(CCO)NC(=O)c1cccn1C.
What is the InChIKey of N-(4-hydroxy-1-methoxybutan-2-yl)-1-methylpyrrole-2-carboxamide?
The InChIKey is MIVBKKRFCZCTGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-13-6-3-4-10(13)11(15)12-9(5-7-14)8-16-2/h3-4,6,9,14H,5,7-8H2,1-2H3,(H,12,15).
What are the key properties of N-(4-hydroxy-1-methoxybutan-2-yl)-1-methylpyrrole-2-carboxamide?
N-(4-hydroxy-1-methoxybutan-2-yl)-1-methylpyrrole-2-carboxamide has a molecular weight of 226.28 g/mol, XLogP of 0.15, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-1-methoxybutan-2-yl)-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 103799438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).