4-[4-methoxy-3-(oxolan-2-yloxy)phenyl]-N-[2-(2-oxopyrrolidin-1-yl)ethyl]benzamide

C24H28N2O5 — CID 68685073

IUPAC4-[4-methoxy-3-(oxolan-2-yloxy)phenyl]-N-[2-(2-oxopyrrolidin-1-yl)ethyl]benzamide
SMILESCOc1ccc(-c2ccc(C(=O)NCCN3CCCC3=O)cc2)cc1OC1CCCO1
InChIInChI=1S/C24H28N2O5/c1-29-20-11-10-19(16-21(20)31-23-5-3-15-30-23)17-6-8-18(9-7-17)24(28)25-12-14-26-13-2-4-22(26)27/h6-11,16,23H,2-5,12-15H2,1H3,(H,25,28)
InChIKeyJTPFBQAEMBADOO-UHFFFAOYSA-N
MW424.50 g/mol
LogP3.23
Rot. Bonds8

About 4-[4-methoxy-3-(oxolan-2-yloxy)phenyl]-N-[2-(2-oxopyrrolidin-1-yl)ethyl]benzamide

4-[4-methoxy-3-(oxolan-2-yloxy)phenyl]-N-[2-(2-oxopyrrolidin-1-yl)ethyl]benzamide (PubChem CID 68685073) has the molecular formula C24H28N2O5 and a molecular weight of 424.50 g/mol. Its IUPAC name is 4-[4-methoxy-3-(oxolan-2-yloxy)phenyl]-N-[2-(2-oxopyrrolidin-1-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-[4-methoxy-3-(oxolan-2-yloxy)phenyl]-N-[2-(2-oxopyrrolidin-1-yl)ethyl]benzamide
PubChem CID68685073
Molecular FormulaC24H28N2O5
Molecular Weight424.50 g/mol
Exact Mass424.20
IUPAC Name4-[4-methoxy-3-(oxolan-2-yloxy)phenyl]-N-[2-(2-oxopyrrolidin-1-yl)ethyl]benzamide
SMILESCOc1ccc(-c2ccc(C(=O)NCCN3CCCC3=O)cc2)cc1OC1CCCO1
InChIInChI=1S/C24H28N2O5/c1-29-20-11-10-19(16-21(20)31-23-5-3-15-30-23)17-6-8-18(9-7-17)24(28)25-12-14-26-13-2-4-22(26)27/h6-11,16,23H,2-5,12-15H2,1H3,(H,25,28)
InChIKeyJTPFBQAEMBADOO-UHFFFAOYSA-N
XLogP3.23
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-[4-methoxy-3-(oxolan-2-yloxy)phenyl]pyrazol-1-yl]acetic acid
CID 21106837
4-[4-[(1R)-1-hydroxyethyl]phenyl]-N-[2-(2-oxopiperidin-1-yl)ethyl]benzamide
CID 126432469
N-[3-(2-oxopyrrolidin-1-yl)propyl]-4-phenylbenzamide
CID 4787941
4-(4-chloro-2-fluorophenyl)-N-[2-(2-oxopyrrolidin-1-yl)ethyl]benzamide
CID 121497318
2-[5-[4-methoxy-3-(oxolan-2-yloxy)phenyl]pyrazol-1-yl]-N-phenylacetamide
CID 21106798
4-bromo-3,5-dimethoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
CID 36839856
6-methoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]naphthalene-2-carboxamide
CID 24949519
3,4-dimethoxy-N-(2-piperidin-1-ylethyl)benzamide
CID 25237103
2-[(4S)-4-[4-methoxy-3-(oxolan-2-yloxy)phenyl]-2-oxopyrrolidin-1-yl]-N-phenylacetamide
CID 69370077
4-[4-(2-methoxyphenyl)piperazin-1-yl]-1-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzene-1,3-dicarboxamide
CID 71224433
N-[2-(2-oxoazepan-1-yl)ethyl]furan-3-carboxamide
CID 39514014
4-[2-(2-oxopyrrolidin-1-yl)ethylcarbamoyl]benzene-1,3-dicarboxylic acid
CID 134109822

Frequently Asked Questions

What is the IUPAC name of 4-[4-methoxy-3-(oxolan-2-yloxy)phenyl]-N-[2-(2-oxopyrrolidin-1-yl)ethyl]benzamide?
The IUPAC name of 4-[4-methoxy-3-(oxolan-2-yloxy)phenyl]-N-[2-(2-oxopyrrolidin-1-yl)ethyl]benzamide (CID 68685073) is 4-[4-methoxy-3-(oxolan-2-yloxy)phenyl]-N-[2-(2-oxopyrrolidin-1-yl)ethyl]benzamide.
What is the SMILES notation for 4-[4-methoxy-3-(oxolan-2-yloxy)phenyl]-N-[2-(2-oxopyrrolidin-1-yl)ethyl]benzamide?
The canonical SMILES for 4-[4-methoxy-3-(oxolan-2-yloxy)phenyl]-N-[2-(2-oxopyrrolidin-1-yl)ethyl]benzamide is COc1ccc(-c2ccc(C(=O)NCCN3CCCC3=O)cc2)cc1OC1CCCO1.
What is the InChIKey of 4-[4-methoxy-3-(oxolan-2-yloxy)phenyl]-N-[2-(2-oxopyrrolidin-1-yl)ethyl]benzamide?
The InChIKey is JTPFBQAEMBADOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O5/c1-29-20-11-10-19(16-21(20)31-23-5-3-15-30-23)17-6-8-18(9-7-17)24(28)25-12-14-26-13-2-4-22(26)27/h6-11,16,23H,2-5,12-15H2,1H3,(H,25,28).
What are the key properties of 4-[4-methoxy-3-(oxolan-2-yloxy)phenyl]-N-[2-(2-oxopyrrolidin-1-yl)ethyl]benzamide?
4-[4-methoxy-3-(oxolan-2-yloxy)phenyl]-N-[2-(2-oxopyrrolidin-1-yl)ethyl]benzamide has a molecular weight of 424.50 g/mol, XLogP of 3.23, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-methoxy-3-(oxolan-2-yloxy)phenyl]-N-[2-(2-oxopyrrolidin-1-yl)ethyl]benzamide is sourced from PubChem (CID 68685073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).