N-ethyl-N-(5-hydroxy-2-methylphenyl)-2,2-dimethylcyclopentane-1-carboxamide

C17H25NO2 — CID 107179782

IUPACN-ethyl-N-(5-hydroxy-2-methylphenyl)-2,2-dimethylcyclopentane-1-carboxamide
SMILESCCN(C(=O)C1CCCC1(C)C)c1cc(O)ccc1C
InChIInChI=1S/C17H25NO2/c1-5-18(15-11-13(19)9-8-12(15)2)16(20)14-7-6-10-17(14,3)4/h8-9,11,14,19H,5-7,10H2,1-4H3
InChIKeyWNXRELMPTFQNJH-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.88
Rot. Bonds3

About N-ethyl-N-(5-hydroxy-2-methylphenyl)-2,2-dimethylcyclopentane-1-carboxamide

N-ethyl-N-(5-hydroxy-2-methylphenyl)-2,2-dimethylcyclopentane-1-carboxamide (PubChem CID 107179782) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is N-ethyl-N-(5-hydroxy-2-methylphenyl)-2,2-dimethylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-(5-hydroxy-2-methylphenyl)-2,2-dimethylcyclopentane-1-carboxamide
PubChem CID107179782
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC NameN-ethyl-N-(5-hydroxy-2-methylphenyl)-2,2-dimethylcyclopentane-1-carboxamide
SMILESCCN(C(=O)C1CCCC1(C)C)c1cc(O)ccc1C
InChIInChI=1S/C17H25NO2/c1-5-18(15-11-13(19)9-8-12(15)2)16(20)14-7-6-10-17(14,3)4/h8-9,11,14,19H,5-7,10H2,1-4H3
InChIKeyWNXRELMPTFQNJH-UHFFFAOYSA-N
XLogP3.88
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-N-(5-hydroxy-2-methylphenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 66477100
(2R)-N-ethyl-N-(5-hydroxy-2-methylphenyl)-5-oxopyrrolidine-2-carboxamide
CID 28740149
N-[4-(aminomethyl)phenyl]-N-ethyl-2,2-dimethylcyclopentane-1-carboxamide
CID 107174542
1-carbamothioyl-N-ethyl-N-(5-hydroxy-2-methylphenyl)cyclopentane-1-carboxamide
CID 107735318
N-ethyl-N-(5-hydroxy-2-methylphenyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide
CID 107734506
1-carbamothioyl-N-ethyl-N-(5-hydroxy-2-methylphenyl)cyclopropane-1-carboxamide
CID 107735320
N-ethyl-N-(5-hydroxy-2-methylphenyl)-2-(propan-2-ylamino)acetamide
CID 107734471
N-ethyl-N-(5-hydroxy-2-methylphenyl)-3-piperidin-3-ylpropanamide
CID 107734491
2-amino-N-ethyl-N-(5-hydroxy-2-methylphenyl)-5-methylbenzamide
CID 107733112
2-(cyclohexen-1-yl)-N-ethyl-N-(5-hydroxy-2-methylphenyl)acetamide
CID 63564415
N-ethyl-N-(5-hydroxy-2-methylphenyl)-3-pyrrolidin-3-ylpropanamide
CID 107734533
N-ethyl-N-(5-hydroxy-2-methylphenyl)-4-iodobenzamide
CID 28978793

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(5-hydroxy-2-methylphenyl)-2,2-dimethylcyclopentane-1-carboxamide?
The IUPAC name of N-ethyl-N-(5-hydroxy-2-methylphenyl)-2,2-dimethylcyclopentane-1-carboxamide (CID 107179782) is N-ethyl-N-(5-hydroxy-2-methylphenyl)-2,2-dimethylcyclopentane-1-carboxamide.
What is the SMILES notation for N-ethyl-N-(5-hydroxy-2-methylphenyl)-2,2-dimethylcyclopentane-1-carboxamide?
The canonical SMILES for N-ethyl-N-(5-hydroxy-2-methylphenyl)-2,2-dimethylcyclopentane-1-carboxamide is CCN(C(=O)C1CCCC1(C)C)c1cc(O)ccc1C.
What is the InChIKey of N-ethyl-N-(5-hydroxy-2-methylphenyl)-2,2-dimethylcyclopentane-1-carboxamide?
The InChIKey is WNXRELMPTFQNJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-5-18(15-11-13(19)9-8-12(15)2)16(20)14-7-6-10-17(14,3)4/h8-9,11,14,19H,5-7,10H2,1-4H3.
What are the key properties of N-ethyl-N-(5-hydroxy-2-methylphenyl)-2,2-dimethylcyclopentane-1-carboxamide?
N-ethyl-N-(5-hydroxy-2-methylphenyl)-2,2-dimethylcyclopentane-1-carboxamide has a molecular weight of 275.39 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(5-hydroxy-2-methylphenyl)-2,2-dimethylcyclopentane-1-carboxamide is sourced from PubChem (CID 107179782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).