1-N-(4-ethoxyphenyl)-2-N-(oxolan-2-ylmethyl)pyrrolidine-1,2-dicarboxamide

C19H27N3O4 — CID 3230270

IUPAC1-N-(4-ethoxyphenyl)-2-N-(oxolan-2-ylmethyl)pyrrolidine-1,2-dicarboxamide
SMILESCCOc1ccc(NC(=O)N2CCCC2C(=O)NCC2CCCO2)cc1
InChIInChI=1S/C19H27N3O4/c1-2-25-15-9-7-14(8-10-15)21-19(24)22-11-3-6-17(22)18(23)20-13-16-5-4-12-26-16/h7-10,16-17H,2-6,11-13H2,1H3,(H,20,23)(H,21,24)
InChIKeyQBLUXRUKRCNVTH-UHFFFAOYSA-N
MW361.44 g/mol
LogP2.38
Rot. Bonds6

About 1-N-(4-ethoxyphenyl)-2-N-(oxolan-2-ylmethyl)pyrrolidine-1,2-dicarboxamide

1-N-(4-ethoxyphenyl)-2-N-(oxolan-2-ylmethyl)pyrrolidine-1,2-dicarboxamide (PubChem CID 3230270) has the molecular formula C19H27N3O4 and a molecular weight of 361.44 g/mol. Its IUPAC name is 1-N-(4-ethoxyphenyl)-2-N-(oxolan-2-ylmethyl)pyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-(4-ethoxyphenyl)-2-N-(oxolan-2-ylmethyl)pyrrolidine-1,2-dicarboxamide
PubChem CID3230270
Molecular FormulaC19H27N3O4
Molecular Weight361.44 g/mol
Exact Mass361.20
IUPAC Name1-N-(4-ethoxyphenyl)-2-N-(oxolan-2-ylmethyl)pyrrolidine-1,2-dicarboxamide
SMILESCCOc1ccc(NC(=O)N2CCCC2C(=O)NCC2CCCO2)cc1
InChIInChI=1S/C19H27N3O4/c1-2-25-15-9-7-14(8-10-15)21-19(24)22-11-3-6-17(22)18(23)20-13-16-5-4-12-26-16/h7-10,16-17H,2-6,11-13H2,1H3,(H,20,23)(H,21,24)
InChIKeyQBLUXRUKRCNVTH-UHFFFAOYSA-N
XLogP2.38
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-N-(4-ethoxyphenyl)-2-N-(oxolan-2-ylmethyl)pyrrolidine-1,2-dicarboxamide?
The IUPAC name of 1-N-(4-ethoxyphenyl)-2-N-(oxolan-2-ylmethyl)pyrrolidine-1,2-dicarboxamide (CID 3230270) is 1-N-(4-ethoxyphenyl)-2-N-(oxolan-2-ylmethyl)pyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for 1-N-(4-ethoxyphenyl)-2-N-(oxolan-2-ylmethyl)pyrrolidine-1,2-dicarboxamide?
The canonical SMILES for 1-N-(4-ethoxyphenyl)-2-N-(oxolan-2-ylmethyl)pyrrolidine-1,2-dicarboxamide is CCOc1ccc(NC(=O)N2CCCC2C(=O)NCC2CCCO2)cc1.
What is the InChIKey of 1-N-(4-ethoxyphenyl)-2-N-(oxolan-2-ylmethyl)pyrrolidine-1,2-dicarboxamide?
The InChIKey is QBLUXRUKRCNVTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O4/c1-2-25-15-9-7-14(8-10-15)21-19(24)22-11-3-6-17(22)18(23)20-13-16-5-4-12-26-16/h7-10,16-17H,2-6,11-13H2,1H3,(H,20,23)(H,21,24).
What are the key properties of 1-N-(4-ethoxyphenyl)-2-N-(oxolan-2-ylmethyl)pyrrolidine-1,2-dicarboxamide?
1-N-(4-ethoxyphenyl)-2-N-(oxolan-2-ylmethyl)pyrrolidine-1,2-dicarboxamide has a molecular weight of 361.44 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(4-ethoxyphenyl)-2-N-(oxolan-2-ylmethyl)pyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 3230270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).