N-ethyl-2-hydroxy-3-methyl-N-pyrrolidin-3-ylbenzamide

C14H20N2O2 — CID 60806343

IUPACN-ethyl-2-hydroxy-3-methyl-N-pyrrolidin-3-ylbenzamide
SMILESCCN(C(=O)c1cccc(C)c1O)C1CCNC1
InChIInChI=1S/C14H20N2O2/c1-3-16(11-7-8-15-9-11)14(18)12-6-4-5-10(2)13(12)17/h4-6,11,15,17H,3,7-9H2,1-2H3
InChIKeyZJUDBGYDKKQBLS-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.52
Rot. Bonds3

About N-ethyl-2-hydroxy-3-methyl-N-pyrrolidin-3-ylbenzamide

N-ethyl-2-hydroxy-3-methyl-N-pyrrolidin-3-ylbenzamide (PubChem CID 60806343) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is N-ethyl-2-hydroxy-3-methyl-N-pyrrolidin-3-ylbenzamide.

Molecular Properties

Compound NameN-ethyl-2-hydroxy-3-methyl-N-pyrrolidin-3-ylbenzamide
PubChem CID60806343
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC NameN-ethyl-2-hydroxy-3-methyl-N-pyrrolidin-3-ylbenzamide
SMILESCCN(C(=O)c1cccc(C)c1O)C1CCNC1
InChIInChI=1S/C14H20N2O2/c1-3-16(11-7-8-15-9-11)14(18)12-6-4-5-10(2)13(12)17/h4-6,11,15,17H,3,7-9H2,1-2H3
InChIKeyZJUDBGYDKKQBLS-UHFFFAOYSA-N
XLogP1.52
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(azetidin-3-yl)-N-ethyl-2-hydroxy-3-methylbenzamide
CID 66184674
N-ethyl-2-fluoro-3-methyl-N-piperidin-4-ylbenzamide
CID 81477812
N-(azetidin-3-yl)-2-hydroxy-3-methyl-N-propylbenzamide
CID 66184160
N-ethyl-1-hydroxy-N-pyrrolidin-3-ylnaphthalene-2-carboxamide
CID 60806004
N-(2-amino-2-oxoethyl)-2-hydroxy-3-methyl-N-piperidin-3-ylbenzamide
CID 60799804
N-ethyl-2-hydroxy-3-methoxy-N-piperidin-3-ylbenzamide
CID 60807403
N-ethyl-2-methylsulfanyl-N-pyrrolidin-3-ylbenzamide
CID 79217551
2-ethoxy-N-ethyl-N-pyrrolidin-3-ylbenzamide
CID 55026177
N-ethyl-3-hydroxy-4-methyl-N-pyrrolidin-3-ylbenzamide
CID 60806005
N-ethyl-2-fluoro-5-methyl-N-pyrrolidin-3-ylbenzamide
CID 62514257
2-chloro-3-methyl-N-(2-methylpropyl)-N-pyrrolidin-3-ylbenzamide
CID 72810882
2-chloro-N-ethyl-N-piperidin-3-ylbenzamide
CID 63638302

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-hydroxy-3-methyl-N-pyrrolidin-3-ylbenzamide?
The IUPAC name of N-ethyl-2-hydroxy-3-methyl-N-pyrrolidin-3-ylbenzamide (CID 60806343) is N-ethyl-2-hydroxy-3-methyl-N-pyrrolidin-3-ylbenzamide.
What is the SMILES notation for N-ethyl-2-hydroxy-3-methyl-N-pyrrolidin-3-ylbenzamide?
The canonical SMILES for N-ethyl-2-hydroxy-3-methyl-N-pyrrolidin-3-ylbenzamide is CCN(C(=O)c1cccc(C)c1O)C1CCNC1.
What is the InChIKey of N-ethyl-2-hydroxy-3-methyl-N-pyrrolidin-3-ylbenzamide?
The InChIKey is ZJUDBGYDKKQBLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-3-16(11-7-8-15-9-11)14(18)12-6-4-5-10(2)13(12)17/h4-6,11,15,17H,3,7-9H2,1-2H3.
What are the key properties of N-ethyl-2-hydroxy-3-methyl-N-pyrrolidin-3-ylbenzamide?
N-ethyl-2-hydroxy-3-methyl-N-pyrrolidin-3-ylbenzamide has a molecular weight of 248.33 g/mol, XLogP of 1.52, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-hydroxy-3-methyl-N-pyrrolidin-3-ylbenzamide is sourced from PubChem (CID 60806343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).