2-methoxy-N-[3-[[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-3-oxopropyl]benzamide

C24H31N3O4 — CID 24978857

IUPAC2-methoxy-N-[3-[[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-3-oxopropyl]benzamide
SMILESCOc1ccc(C(CNC(=O)CCNC(=O)c2ccccc2OC)N2CCCC2)cc1
InChIInChI=1S/C24H31N3O4/c1-30-19-11-9-18(10-12-19)21(27-15-5-6-16-27)17-26-23(28)13-14-25-24(29)20-7-3-4-8-22(20)31-2/h3-4,7-12,21H,5-6,13-17H2,1-2H3,(H,25,29)(H,26,28)
InChIKeyPFQBFNZJYJLJEQ-UHFFFAOYSA-N
MW425.53 g/mol
LogP2.78
Rot. Bonds10

About 2-methoxy-N-[3-[[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-3-oxopropyl]benzamide

2-methoxy-N-[3-[[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-3-oxopropyl]benzamide (PubChem CID 24978857) has the molecular formula C24H31N3O4 and a molecular weight of 425.53 g/mol. Its IUPAC name is 2-methoxy-N-[3-[[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-3-oxopropyl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[3-[[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-3-oxopropyl]benzamide
PubChem CID24978857
Molecular FormulaC24H31N3O4
Molecular Weight425.53 g/mol
Exact Mass425.23
IUPAC Name2-methoxy-N-[3-[[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-3-oxopropyl]benzamide
SMILESCOc1ccc(C(CNC(=O)CCNC(=O)c2ccccc2OC)N2CCCC2)cc1
InChIInChI=1S/C24H31N3O4/c1-30-19-11-9-18(10-12-19)21(27-15-5-6-16-27)17-26-23(28)13-14-25-24(29)20-7-3-4-8-22(20)31-2/h3-4,7-12,21H,5-6,13-17H2,1-2H3,(H,25,29)(H,26,28)
InChIKeyPFQBFNZJYJLJEQ-UHFFFAOYSA-N
XLogP2.78
TPSA79.90 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 ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[3-[[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-3-oxopropyl]benzamide?
The IUPAC name of 2-methoxy-N-[3-[[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-3-oxopropyl]benzamide (CID 24978857) is 2-methoxy-N-[3-[[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-3-oxopropyl]benzamide.
What is the SMILES notation for 2-methoxy-N-[3-[[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-3-oxopropyl]benzamide?
The canonical SMILES for 2-methoxy-N-[3-[[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-3-oxopropyl]benzamide is COc1ccc(C(CNC(=O)CCNC(=O)c2ccccc2OC)N2CCCC2)cc1.
What is the InChIKey of 2-methoxy-N-[3-[[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-3-oxopropyl]benzamide?
The InChIKey is PFQBFNZJYJLJEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O4/c1-30-19-11-9-18(10-12-19)21(27-15-5-6-16-27)17-26-23(28)13-14-25-24(29)20-7-3-4-8-22(20)31-2/h3-4,7-12,21H,5-6,13-17H2,1-2H3,(H,25,29)(H,26,28).
What are the key properties of 2-methoxy-N-[3-[[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-3-oxopropyl]benzamide?
2-methoxy-N-[3-[[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-3-oxopropyl]benzamide has a molecular weight of 425.53 g/mol, XLogP of 2.78, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[3-[[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-3-oxopropyl]benzamide is sourced from PubChem (CID 24978857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).