N-ethyl-3-hydroxy-4-methyl-N-pyrrolidin-3-ylbenzamide

C14H20N2O2 — CID 60806005

IUPACN-ethyl-3-hydroxy-4-methyl-N-pyrrolidin-3-ylbenzamide
SMILESCCN(C(=O)c1ccc(C)c(O)c1)C1CCNC1
InChIInChI=1S/C14H20N2O2/c1-3-16(12-6-7-15-9-12)14(18)11-5-4-10(2)13(17)8-11/h4-5,8,12,15,17H,3,6-7,9H2,1-2H3
InChIKeyNNWQVSIORVARSM-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.52
Rot. Bonds3

About N-ethyl-3-hydroxy-4-methyl-N-pyrrolidin-3-ylbenzamide

N-ethyl-3-hydroxy-4-methyl-N-pyrrolidin-3-ylbenzamide (PubChem CID 60806005) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is N-ethyl-3-hydroxy-4-methyl-N-pyrrolidin-3-ylbenzamide.

Molecular Properties

Compound NameN-ethyl-3-hydroxy-4-methyl-N-pyrrolidin-3-ylbenzamide
PubChem CID60806005
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC NameN-ethyl-3-hydroxy-4-methyl-N-pyrrolidin-3-ylbenzamide
SMILESCCN(C(=O)c1ccc(C)c(O)c1)C1CCNC1
InChIInChI=1S/C14H20N2O2/c1-3-16(12-6-7-15-9-12)14(18)11-5-4-10(2)13(17)8-11/h4-5,8,12,15,17H,3,6-7,9H2,1-2H3
InChIKeyNNWQVSIORVARSM-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-(2-amino-2-oxoethyl)-4-hydroxy-3-methyl-N-pyrrolidin-3-ylbenzamide
CID 107675675
N-ethyl-N-pyrrolidin-3-yl-4-(trifluoromethyl)benzamide
CID 60806173
N-ethyl-2-hydroxy-3-methyl-N-pyrrolidin-3-ylbenzamide
CID 60806343
N-ethyl-3-nitro-N-pyrrolidin-3-ylbenzamide
CID 55203806
N-cyclopentyl-N-ethyl-4-hydroxy-3-methylbenzamide
CID 103951919
N-ethyl-3-methoxy-4-nitro-N-pyrrolidin-3-ylbenzamide
CID 104783801
3-bromo-N-ethyl-5-fluoro-N-pyrrolidin-3-ylbenzamide
CID 63299650
N-ethyl-N-pyrrolidin-3-ylpyridine-3-carboxamide
CID 63299166
4-chloro-N-ethyl-N-piperidin-4-ylbenzamide
CID 54923441
N-ethyl-2-fluoro-5-methyl-N-pyrrolidin-3-ylbenzamide
CID 62514257
1-N,1-N-dimethyl-3-N-propyl-3-N-pyrrolidin-3-ylbenzene-1,3-dicarboxamide
CID 119533174
3-[cyclopropyl-(3-hydroxy-4-methylbenzoyl)amino]propanoic acid
CID 54926497

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-hydroxy-4-methyl-N-pyrrolidin-3-ylbenzamide?
The IUPAC name of N-ethyl-3-hydroxy-4-methyl-N-pyrrolidin-3-ylbenzamide (CID 60806005) is N-ethyl-3-hydroxy-4-methyl-N-pyrrolidin-3-ylbenzamide.
What is the SMILES notation for N-ethyl-3-hydroxy-4-methyl-N-pyrrolidin-3-ylbenzamide?
The canonical SMILES for N-ethyl-3-hydroxy-4-methyl-N-pyrrolidin-3-ylbenzamide is CCN(C(=O)c1ccc(C)c(O)c1)C1CCNC1.
What is the InChIKey of N-ethyl-3-hydroxy-4-methyl-N-pyrrolidin-3-ylbenzamide?
The InChIKey is NNWQVSIORVARSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-3-16(12-6-7-15-9-12)14(18)11-5-4-10(2)13(17)8-11/h4-5,8,12,15,17H,3,6-7,9H2,1-2H3.
What are the key properties of N-ethyl-3-hydroxy-4-methyl-N-pyrrolidin-3-ylbenzamide?
N-ethyl-3-hydroxy-4-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-3-hydroxy-4-methyl-N-pyrrolidin-3-ylbenzamide is sourced from PubChem (CID 60806005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).