3-ethoxy-4-[[methoxy(phenyl)methyl]amino]-5-(2-oxopyrrolidin-1-yl)-2-propylbenzamide

C24H31N3O4 — CID 87836191

IUPAC3-ethoxy-4-[[methoxy(phenyl)methyl]amino]-5-(2-oxopyrrolidin-1-yl)-2-propylbenzamide
SMILESCCCc1c(C(N)=O)cc(N2CCCC2=O)c(NC(OC)c2ccccc2)c1OCC
InChIInChI=1S/C24H31N3O4/c1-4-10-17-18(23(25)29)15-19(27-14-9-13-20(27)28)21(22(17)31-5-2)26-24(30-3)16-11-7-6-8-12-16/h6-8,11-12,15,24,26H,4-5,9-10,13-14H2,1-3H3,(H2,25,29)
InChIKeyZYNADTIMYPATIA-UHFFFAOYSA-N
MW425.53 g/mol
LogP4.02
Rot. Bonds10

About 3-ethoxy-4-[[methoxy(phenyl)methyl]amino]-5-(2-oxopyrrolidin-1-yl)-2-propylbenzamide

3-ethoxy-4-[[methoxy(phenyl)methyl]amino]-5-(2-oxopyrrolidin-1-yl)-2-propylbenzamide (PubChem CID 87836191) has the molecular formula C24H31N3O4 and a molecular weight of 425.53 g/mol. Its IUPAC name is 3-ethoxy-4-[[methoxy(phenyl)methyl]amino]-5-(2-oxopyrrolidin-1-yl)-2-propylbenzamide.

Molecular Properties

Compound Name3-ethoxy-4-[[methoxy(phenyl)methyl]amino]-5-(2-oxopyrrolidin-1-yl)-2-propylbenzamide
PubChem CID87836191
Molecular FormulaC24H31N3O4
Molecular Weight425.53 g/mol
Exact Mass425.23
IUPAC Name3-ethoxy-4-[[methoxy(phenyl)methyl]amino]-5-(2-oxopyrrolidin-1-yl)-2-propylbenzamide
SMILESCCCc1c(C(N)=O)cc(N2CCCC2=O)c(NC(OC)c2ccccc2)c1OCC
InChIInChI=1S/C24H31N3O4/c1-4-10-17-18(23(25)29)15-19(27-14-9-13-20(27)28)21(22(17)31-5-2)26-24(30-3)16-11-7-6-8-12-16/h6-8,11-12,15,24,26H,4-5,9-10,13-14H2,1-3H3,(H2,25,29)
InChIKeyZYNADTIMYPATIA-UHFFFAOYSA-N
XLogP4.02
TPSA93.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.53
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-4-[[methoxy(phenyl)methyl]amino]-5-(2-oxopyrrolidin-1-yl)-2-propylbenzamide?
The IUPAC name of 3-ethoxy-4-[[methoxy(phenyl)methyl]amino]-5-(2-oxopyrrolidin-1-yl)-2-propylbenzamide (CID 87836191) is 3-ethoxy-4-[[methoxy(phenyl)methyl]amino]-5-(2-oxopyrrolidin-1-yl)-2-propylbenzamide.
What is the SMILES notation for 3-ethoxy-4-[[methoxy(phenyl)methyl]amino]-5-(2-oxopyrrolidin-1-yl)-2-propylbenzamide?
The canonical SMILES for 3-ethoxy-4-[[methoxy(phenyl)methyl]amino]-5-(2-oxopyrrolidin-1-yl)-2-propylbenzamide is CCCc1c(C(N)=O)cc(N2CCCC2=O)c(NC(OC)c2ccccc2)c1OCC.
What is the InChIKey of 3-ethoxy-4-[[methoxy(phenyl)methyl]amino]-5-(2-oxopyrrolidin-1-yl)-2-propylbenzamide?
The InChIKey is ZYNADTIMYPATIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O4/c1-4-10-17-18(23(25)29)15-19(27-14-9-13-20(27)28)21(22(17)31-5-2)26-24(30-3)16-11-7-6-8-12-16/h6-8,11-12,15,24,26H,4-5,9-10,13-14H2,1-3H3,(H2,25,29).
What are the key properties of 3-ethoxy-4-[[methoxy(phenyl)methyl]amino]-5-(2-oxopyrrolidin-1-yl)-2-propylbenzamide?
3-ethoxy-4-[[methoxy(phenyl)methyl]amino]-5-(2-oxopyrrolidin-1-yl)-2-propylbenzamide has a molecular weight of 425.53 g/mol, XLogP of 4.02, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-4-[[methoxy(phenyl)methyl]amino]-5-(2-oxopyrrolidin-1-yl)-2-propylbenzamide is sourced from PubChem (CID 87836191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).