3-ethoxy-4-(2-methylpropoxy)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide

C23H28N2O4 — CID 8747644

IUPAC3-ethoxy-4-(2-methylpropoxy)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
SMILESCCOc1cc(C(=O)Nc2ccc(N3CCCC3=O)cc2)ccc1OCC(C)C
InChIInChI=1S/C23H28N2O4/c1-4-28-21-14-17(7-12-20(21)29-15-16(2)3)23(27)24-18-8-10-19(11-9-18)25-13-5-6-22(25)26/h7-12,14,16H,4-6,13,15H2,1-3H3,(H,24,27)
InChIKeyGUVSEOCIWQQYLP-UHFFFAOYSA-N
MW396.49 g/mol
LogP4.50
Rot. Bonds8

About 3-ethoxy-4-(2-methylpropoxy)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide

3-ethoxy-4-(2-methylpropoxy)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide (PubChem CID 8747644) has the molecular formula C23H28N2O4 and a molecular weight of 396.49 g/mol. Its IUPAC name is 3-ethoxy-4-(2-methylpropoxy)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name3-ethoxy-4-(2-methylpropoxy)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
PubChem CID8747644
Molecular FormulaC23H28N2O4
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC Name3-ethoxy-4-(2-methylpropoxy)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
SMILESCCOc1cc(C(=O)Nc2ccc(N3CCCC3=O)cc2)ccc1OCC(C)C
InChIInChI=1S/C23H28N2O4/c1-4-28-21-14-17(7-12-20(21)29-15-16(2)3)23(27)24-18-8-10-19(11-9-18)25-13-5-6-22(25)26/h7-12,14,16H,4-6,13,15H2,1-3H3,(H,24,27)
InChIKeyGUVSEOCIWQQYLP-UHFFFAOYSA-N
XLogP4.50
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-N-[4-(2-oxopyrrolidin-1-yl)phenyl]-4-propan-2-yloxybenzamide
CID 51172435
4-ethoxy-3-methoxy-N'-[4-(2-oxopyrrolidin-1-yl)benzoyl]benzohydrazide
CID 7780107
3,4-diethoxy-N-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]benzamide
CID 7687515
[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl] 4-butoxy-3-ethoxybenzoate
CID 27717588
N-[4-(2-methylpropanoylamino)phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 26680013
N-[4-(difluoromethoxy)phenyl]-3-ethoxy-4-(2-methylpropoxy)benzamide
CID 8502589
4-acetamido-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 78788340
4-methoxy-N-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-prop-2-enylbenzamide
CID 99948907
methyl 4-[[4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]benzoate
CID 8747295
N-(3,5-dimethoxyphenyl)-3-ethoxy-4-(2-methylpropoxy)benzamide
CID 9096664
N-(4-methoxyphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 9412020
N-(3-acetylphenyl)-3-ethoxy-4-(2-methylpropoxy)benzamide
CID 9095687

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-4-(2-methylpropoxy)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide?
The IUPAC name of 3-ethoxy-4-(2-methylpropoxy)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide (CID 8747644) is 3-ethoxy-4-(2-methylpropoxy)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide.
What is the SMILES notation for 3-ethoxy-4-(2-methylpropoxy)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide?
The canonical SMILES for 3-ethoxy-4-(2-methylpropoxy)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide is CCOc1cc(C(=O)Nc2ccc(N3CCCC3=O)cc2)ccc1OCC(C)C.
What is the InChIKey of 3-ethoxy-4-(2-methylpropoxy)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide?
The InChIKey is GUVSEOCIWQQYLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O4/c1-4-28-21-14-17(7-12-20(21)29-15-16(2)3)23(27)24-18-8-10-19(11-9-18)25-13-5-6-22(25)26/h7-12,14,16H,4-6,13,15H2,1-3H3,(H,24,27).
What are the key properties of 3-ethoxy-4-(2-methylpropoxy)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide?
3-ethoxy-4-(2-methylpropoxy)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide has a molecular weight of 396.49 g/mol, XLogP of 4.50, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-4-(2-methylpropoxy)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide is sourced from PubChem (CID 8747644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).