N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide

C16H28N2O3 — CID 110002937

IUPACN-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide
SMILESCOCC(C)(CCO)NC(=O)c1cc(C)n(C(C)C)c1C
InChIInChI=1S/C16H28N2O3/c1-11(2)18-12(3)9-14(13(18)4)15(20)17-16(5,7-8-19)10-21-6/h9,11,19H,7-8,10H2,1-6H3,(H,17,20)
InChIKeyVRFQBHPUHQTEPC-UHFFFAOYSA-N
MW296.41 g/mol
LogP2.20
Rot. Bonds7

About N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide

N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide (PubChem CID 110002937) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide
PubChem CID110002937
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC NameN-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide
SMILESCOCC(C)(CCO)NC(=O)c1cc(C)n(C(C)C)c1C
InChIInChI=1S/C16H28N2O3/c1-11(2)18-12(3)9-14(13(18)4)15(20)17-16(5,7-8-19)10-21-6/h9,11,19H,7-8,10H2,1-6H3,(H,17,20)
InChIKeyVRFQBHPUHQTEPC-UHFFFAOYSA-N
XLogP2.20
TPSA63.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-(3-Formyl-2,5-dimethyl-1H-pyrrol-1-yl)ethyl)acetamide
CID 178134
1-Butan-2-yl-2,5-dimethylpyrrole-3-carboxamide
CID 3928083
1-(2-Methoxyethyl)-2,5-dimethyl-1H-pyrrole-3-carbaldehyde
CID 2068116
1-cyclohexyl-N-[(4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]-2,5-dimethyl-1H-pyrrole-3-carboxamide
CID 17472947
3-{(3R*,4S*)-4-morpholin-4-yl-1-[(1,2,5-trimethyl-1H-pyrrol-3-yl)carbonyl]piperidin-3-yl}propan-1-ol
CID 72857332
4-(2-Methoxyethoxy)-1-[1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrole-3-carbonyl]piperidine
CID 91918283
1-[2-(dimethylamino)ethyl]-2,5-dimethyl-N-(oxolan-2-ylmethyl)pyrrole-3-carboxamide
CID 53149838
2,5-dimethyl-N-(oxolan-2-ylmethyl)-1-(2-pyrrolidin-1-ylethyl)pyrrole-3-carboxamide
CID 53149862
[1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl][4-(methoxymethyl)-2,8-diazaspiro[4.5]dec-2-yl]methanone
CID 91922000
Rel-N-{(3R,4S)-4-[(dimethylamino)methyl]-1-methyl-3-pyrrolidinyl}-1-(3-methoxypropyl)-2,5-dimethyl-1H-pyrrole-3-carboxamide
CID 91922797
N-{4-[(Dimethylamino)methyl]-1-methylpyrrolidin-3-YL}-1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrole-3-carboxamide
CID 91922798
(4R)-N-Cyclohexyl-4-hydroxy-1-(1-{[1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-YL]carbonyl}-4-piperidinyl)-L-prolinamide
CID 110197315

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide?
The IUPAC name of N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide (CID 110002937) is N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide.
What is the SMILES notation for N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide?
The canonical SMILES for N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide is COCC(C)(CCO)NC(=O)c1cc(C)n(C(C)C)c1C.
What is the InChIKey of N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide?
The InChIKey is VRFQBHPUHQTEPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-11(2)18-12(3)9-14(13(18)4)15(20)17-16(5,7-8-19)10-21-6/h9,11,19H,7-8,10H2,1-6H3,(H,17,20).
What are the key properties of N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide?
N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide has a molecular weight of 296.41 g/mol, XLogP of 2.20, 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)-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide is sourced from PubChem (CID 110002937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).