N-ethyl-N-(5-hydroxy-2-methylphenyl)-3-pyrrolidin-3-ylpropanamide

C16H24N2O2 — CID 107734533

IUPACN-ethyl-N-(5-hydroxy-2-methylphenyl)-3-pyrrolidin-3-ylpropanamide
SMILESCCN(C(=O)CCC1CCNC1)c1cc(O)ccc1C
InChIInChI=1S/C16H24N2O2/c1-3-18(15-10-14(19)6-4-12(15)2)16(20)7-5-13-8-9-17-11-13/h4,6,10,13,17,19H,3,5,7-9,11H2,1-2H3
InChIKeyRMLXYURAOSXXBI-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.44
Rot. Bonds5

About N-ethyl-N-(5-hydroxy-2-methylphenyl)-3-pyrrolidin-3-ylpropanamide

N-ethyl-N-(5-hydroxy-2-methylphenyl)-3-pyrrolidin-3-ylpropanamide (PubChem CID 107734533) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-ethyl-N-(5-hydroxy-2-methylphenyl)-3-pyrrolidin-3-ylpropanamide.

Molecular Properties

Compound NameN-ethyl-N-(5-hydroxy-2-methylphenyl)-3-pyrrolidin-3-ylpropanamide
PubChem CID107734533
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-ethyl-N-(5-hydroxy-2-methylphenyl)-3-pyrrolidin-3-ylpropanamide
SMILESCCN(C(=O)CCC1CCNC1)c1cc(O)ccc1C
InChIInChI=1S/C16H24N2O2/c1-3-18(15-10-14(19)6-4-12(15)2)16(20)7-5-13-8-9-17-11-13/h4,6,10,13,17,19H,3,5,7-9,11H2,1-2H3
InChIKeyRMLXYURAOSXXBI-UHFFFAOYSA-N
XLogP2.44
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N-(5-hydroxy-2-methylphenyl)-3-piperidin-3-ylpropanamide
CID 107734491
N-ethyl-N-(3-methylphenyl)-3-piperidin-4-ylpropanamide
CID 62212377
2-(1,4-diazepan-1-yl)-N-ethyl-N-(5-hydroxy-2-methylphenyl)acetamide
CID 107734552
(2R)-N-ethyl-N-(5-hydroxy-2-methylphenyl)-5-oxopyrrolidine-2-carboxamide
CID 28740149
1-(3,4-dimethylphenyl)-4-pyrrolidin-3-ylbutan-2-one
CID 116606064
1-(4-hydroxyphenyl)-4-pyrrolidin-3-ylbutan-2-one
CID 116606055
N-ethyl-N-(5-hydroxy-2-methylphenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 66477100
N-ethyl-N-(5-hydroxy-2-methylphenyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide
CID 107734506
N-ethyl-N-(5-hydroxy-2-methylphenyl)-4-iodobenzamide
CID 28978793
N-methyl-N-pyridin-4-yl-3-pyrrolidin-3-ylpropanamide
CID 106935104
N-ethyl-N-(2-methylphenyl)-3-piperidin-2-ylpropanamide
CID 62210137
1-(4-ethylphenyl)-3-pyrrolidin-3-ylpropan-1-one
CID 116606137

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(5-hydroxy-2-methylphenyl)-3-pyrrolidin-3-ylpropanamide?
The IUPAC name of N-ethyl-N-(5-hydroxy-2-methylphenyl)-3-pyrrolidin-3-ylpropanamide (CID 107734533) is N-ethyl-N-(5-hydroxy-2-methylphenyl)-3-pyrrolidin-3-ylpropanamide.
What is the SMILES notation for N-ethyl-N-(5-hydroxy-2-methylphenyl)-3-pyrrolidin-3-ylpropanamide?
The canonical SMILES for N-ethyl-N-(5-hydroxy-2-methylphenyl)-3-pyrrolidin-3-ylpropanamide is CCN(C(=O)CCC1CCNC1)c1cc(O)ccc1C.
What is the InChIKey of N-ethyl-N-(5-hydroxy-2-methylphenyl)-3-pyrrolidin-3-ylpropanamide?
The InChIKey is RMLXYURAOSXXBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-3-18(15-10-14(19)6-4-12(15)2)16(20)7-5-13-8-9-17-11-13/h4,6,10,13,17,19H,3,5,7-9,11H2,1-2H3.
What are the key properties of N-ethyl-N-(5-hydroxy-2-methylphenyl)-3-pyrrolidin-3-ylpropanamide?
N-ethyl-N-(5-hydroxy-2-methylphenyl)-3-pyrrolidin-3-ylpropanamide has a molecular weight of 276.38 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(5-hydroxy-2-methylphenyl)-3-pyrrolidin-3-ylpropanamide is sourced from PubChem (CID 107734533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).