1-ethyl-N-(4-hydroxy-2,2-dimethylpentyl)-2,5-dimethylpyrrole-3-carboxamide

C16H28N2O2 — CID 111480378

IUPAC1-ethyl-N-(4-hydroxy-2,2-dimethylpentyl)-2,5-dimethylpyrrole-3-carboxamide
SMILESCCn1c(C)cc(C(=O)NCC(C)(C)CC(C)O)c1C
InChIInChI=1S/C16H28N2O2/c1-7-18-11(2)8-14(13(18)4)15(20)17-10-16(5,6)9-12(3)19/h8,12,19H,7,9-10H2,1-6H3,(H,17,20)
InChIKeyGNQIKOQAUBKUSW-UHFFFAOYSA-N
MW280.41 g/mol
LogP2.65
Rot. Bonds6

About 1-ethyl-N-(4-hydroxy-2,2-dimethylpentyl)-2,5-dimethylpyrrole-3-carboxamide

1-ethyl-N-(4-hydroxy-2,2-dimethylpentyl)-2,5-dimethylpyrrole-3-carboxamide (PubChem CID 111480378) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 1-ethyl-N-(4-hydroxy-2,2-dimethylpentyl)-2,5-dimethylpyrrole-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-(4-hydroxy-2,2-dimethylpentyl)-2,5-dimethylpyrrole-3-carboxamide
PubChem CID111480378
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name1-ethyl-N-(4-hydroxy-2,2-dimethylpentyl)-2,5-dimethylpyrrole-3-carboxamide
SMILESCCn1c(C)cc(C(=O)NCC(C)(C)CC(C)O)c1C
InChIInChI=1S/C16H28N2O2/c1-7-18-11(2)8-14(13(18)4)15(20)17-10-16(5,6)9-12(3)19/h8,12,19H,7,9-10H2,1-6H3,(H,17,20)
InChIKeyGNQIKOQAUBKUSW-UHFFFAOYSA-N
XLogP2.65
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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-cyclohexyl-N-[(4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]-2,5-dimethyl-1H-pyrrole-3-carboxamide
CID 17472947
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2,5-dimethyl-1-phenylpyrrole-3-carboxamide
CID 156016556
N-[2-[[acetyl(methyl)amino]methyl]phenyl]-1-ethyl-2,5-dimethylpyrrole-3-carboxamide
CID 40366873
1-[2,5-Dimethyl-1-(2,2,2-trifluoroethyl)pyrrole-3-carbonyl]-1,4-diazepan-5-one
CID 56821268
(3R*,4S*)-3,4-dimethyl-1-[(1,2,5-trimethyl-1H-pyrrol-3-yl)carbonyl]piperidin-4-ol
CID 70748471
N-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide
CID 71975306
[4-(methoxymethyl)-2,8-diazaspiro[4.5]dec-2-yl][1-(3-methoxypropyl)-2,5-dimethyl-1H-pyrrol-3-yl]methanone
CID 91921999
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

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(4-hydroxy-2,2-dimethylpentyl)-2,5-dimethylpyrrole-3-carboxamide?
The IUPAC name of 1-ethyl-N-(4-hydroxy-2,2-dimethylpentyl)-2,5-dimethylpyrrole-3-carboxamide (CID 111480378) is 1-ethyl-N-(4-hydroxy-2,2-dimethylpentyl)-2,5-dimethylpyrrole-3-carboxamide.
What is the SMILES notation for 1-ethyl-N-(4-hydroxy-2,2-dimethylpentyl)-2,5-dimethylpyrrole-3-carboxamide?
The canonical SMILES for 1-ethyl-N-(4-hydroxy-2,2-dimethylpentyl)-2,5-dimethylpyrrole-3-carboxamide is CCn1c(C)cc(C(=O)NCC(C)(C)CC(C)O)c1C.
What is the InChIKey of 1-ethyl-N-(4-hydroxy-2,2-dimethylpentyl)-2,5-dimethylpyrrole-3-carboxamide?
The InChIKey is GNQIKOQAUBKUSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-7-18-11(2)8-14(13(18)4)15(20)17-10-16(5,6)9-12(3)19/h8,12,19H,7,9-10H2,1-6H3,(H,17,20).
What are the key properties of 1-ethyl-N-(4-hydroxy-2,2-dimethylpentyl)-2,5-dimethylpyrrole-3-carboxamide?
1-ethyl-N-(4-hydroxy-2,2-dimethylpentyl)-2,5-dimethylpyrrole-3-carboxamide has a molecular weight of 280.41 g/mol, XLogP of 2.65, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(4-hydroxy-2,2-dimethylpentyl)-2,5-dimethylpyrrole-3-carboxamide is sourced from PubChem (CID 111480378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).