3-ethoxy-N-[1-(4-hydroxy-2-methylpyrrolidin-1-yl)-1-oxopropan-2-yl]-N-methylbenzamide

C18H26N2O4 — CID 123737307

IUPAC3-ethoxy-N-[1-(4-hydroxy-2-methylpyrrolidin-1-yl)-1-oxopropan-2-yl]-N-methylbenzamide
SMILESCCOc1cccc(C(=O)N(C)C(C)C(=O)N2CC(O)CC2C)c1
InChIInChI=1S/C18H26N2O4/c1-5-24-16-8-6-7-14(10-16)18(23)19(4)13(3)17(22)20-11-15(21)9-12(20)2/h6-8,10,12-13,15,21H,5,9,11H2,1-4H3
InChIKeyNBEONANXYLRDIF-UHFFFAOYSA-N
MW334.42 g/mol
LogP1.53
Rot. Bonds5

About 3-ethoxy-N-[1-(4-hydroxy-2-methylpyrrolidin-1-yl)-1-oxopropan-2-yl]-N-methylbenzamide

3-ethoxy-N-[1-(4-hydroxy-2-methylpyrrolidin-1-yl)-1-oxopropan-2-yl]-N-methylbenzamide (PubChem CID 123737307) has the molecular formula C18H26N2O4 and a molecular weight of 334.42 g/mol. Its IUPAC name is 3-ethoxy-N-[1-(4-hydroxy-2-methylpyrrolidin-1-yl)-1-oxopropan-2-yl]-N-methylbenzamide.

Molecular Properties

Compound Name3-ethoxy-N-[1-(4-hydroxy-2-methylpyrrolidin-1-yl)-1-oxopropan-2-yl]-N-methylbenzamide
PubChem CID123737307
Molecular FormulaC18H26N2O4
Molecular Weight334.42 g/mol
Exact Mass334.19
IUPAC Name3-ethoxy-N-[1-(4-hydroxy-2-methylpyrrolidin-1-yl)-1-oxopropan-2-yl]-N-methylbenzamide
SMILESCCOc1cccc(C(=O)N(C)C(C)C(=O)N2CC(O)CC2C)c1
InChIInChI=1S/C18H26N2O4/c1-5-24-16-8-6-7-14(10-16)18(23)19(4)13(3)17(22)20-11-15(21)9-12(20)2/h6-8,10,12-13,15,21H,5,9,11H2,1-4H3
InChIKeyNBEONANXYLRDIF-UHFFFAOYSA-N
XLogP1.53
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-ethoxy-N-[1-(4-hydroxy-2-methylpyrrolidin-1-yl)-1-oxopropan-2-yl]-N-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[methyl-[3-(3-methylbut-2-enoxy)benzoyl]amino]propanoic acid
CID 119209407
3-ethoxy-N-methyl-N-piperidin-4-ylbenzamide
CID 119443526
N-(1-amino-1-hydroxyiminopropan-2-yl)-N-methyl-3-propoxybenzamide
CID 76977885
(3-ethoxyphenyl)-(9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone
CID 171947025
3-ethoxy-N-methyl-N-prop-2-enylbenzamide
CID 123374812
[4-(3-ethoxybenzoyl)piperazin-1-yl]-(3-ethoxyphenyl)methanone
CID 4958094
N,N-dimethyl-3-propoxybenzamide
CID 28639811
N-(1-bromopropan-2-yl)-3-methoxy-N-methylbenzamide
CID 104555963
3-methoxy-N-methyl-N-[[(2R)-1-methylpiperidin-2-yl]methyl]benzamide
CID 29055690
3-methoxy-N-methyl-N-[[(2S)-1-methylpiperidin-2-yl]methyl]benzamide
CID 29055686
3-ethoxy-N-[(2S,3R)-3-methylpentan-2-yl]benzamide
CID 91023998
1-[4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]-2-[methyl(propan-2-yl)amino]ethanone
CID 154739384

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-[1-(4-hydroxy-2-methylpyrrolidin-1-yl)-1-oxopropan-2-yl]-N-methylbenzamide?
The IUPAC name of 3-ethoxy-N-[1-(4-hydroxy-2-methylpyrrolidin-1-yl)-1-oxopropan-2-yl]-N-methylbenzamide (CID 123737307) is 3-ethoxy-N-[1-(4-hydroxy-2-methylpyrrolidin-1-yl)-1-oxopropan-2-yl]-N-methylbenzamide.
What is the SMILES notation for 3-ethoxy-N-[1-(4-hydroxy-2-methylpyrrolidin-1-yl)-1-oxopropan-2-yl]-N-methylbenzamide?
The canonical SMILES for 3-ethoxy-N-[1-(4-hydroxy-2-methylpyrrolidin-1-yl)-1-oxopropan-2-yl]-N-methylbenzamide is CCOc1cccc(C(=O)N(C)C(C)C(=O)N2CC(O)CC2C)c1.
What is the InChIKey of 3-ethoxy-N-[1-(4-hydroxy-2-methylpyrrolidin-1-yl)-1-oxopropan-2-yl]-N-methylbenzamide?
The InChIKey is NBEONANXYLRDIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O4/c1-5-24-16-8-6-7-14(10-16)18(23)19(4)13(3)17(22)20-11-15(21)9-12(20)2/h6-8,10,12-13,15,21H,5,9,11H2,1-4H3.
What are the key properties of 3-ethoxy-N-[1-(4-hydroxy-2-methylpyrrolidin-1-yl)-1-oxopropan-2-yl]-N-methylbenzamide?
3-ethoxy-N-[1-(4-hydroxy-2-methylpyrrolidin-1-yl)-1-oxopropan-2-yl]-N-methylbenzamide has a molecular weight of 334.42 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[1-(4-hydroxy-2-methylpyrrolidin-1-yl)-1-oxopropan-2-yl]-N-methylbenzamide is sourced from PubChem (CID 123737307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).