3,4,5-triethoxy-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide

C21H34N2O4 — CID 60598287

IUPAC3,4,5-triethoxy-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide
SMILESCCOc1cc(C(=O)NCC2CCN(C(C)C)C2)cc(OCC)c1OCC
InChIInChI=1S/C21H34N2O4/c1-6-25-18-11-17(12-19(26-7-2)20(18)27-8-3)21(24)22-13-16-9-10-23(14-16)15(4)5/h11-12,15-16H,6-10,13-14H2,1-5H3,(H,22,24)
InChIKeyZGIUUYWGXORMPN-UHFFFAOYSA-N
MW378.51 g/mol
LogP3.34
Rot. Bonds10

About 3,4,5-triethoxy-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide

3,4,5-triethoxy-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide (PubChem CID 60598287) has the molecular formula C21H34N2O4 and a molecular weight of 378.51 g/mol. Its IUPAC name is 3,4,5-triethoxy-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide.

Molecular Properties

Compound Name3,4,5-triethoxy-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide
PubChem CID60598287
Molecular FormulaC21H34N2O4
Molecular Weight378.51 g/mol
Exact Mass378.25
IUPAC Name3,4,5-triethoxy-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide
SMILESCCOc1cc(C(=O)NCC2CCN(C(C)C)C2)cc(OCC)c1OCC
InChIInChI=1S/C21H34N2O4/c1-6-25-18-11-17(12-19(26-7-2)20(18)27-8-3)21(24)22-13-16-9-10-23(14-16)15(4)5/h11-12,15-16H,6-10,13-14H2,1-5H3,(H,22,24)
InChIKeyZGIUUYWGXORMPN-UHFFFAOYSA-N
XLogP3.34
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.51
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,4,5-triethoxy-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide?
The IUPAC name of 3,4,5-triethoxy-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide (CID 60598287) is 3,4,5-triethoxy-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide.
What is the SMILES notation for 3,4,5-triethoxy-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide?
The canonical SMILES for 3,4,5-triethoxy-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide is CCOc1cc(C(=O)NCC2CCN(C(C)C)C2)cc(OCC)c1OCC.
What is the InChIKey of 3,4,5-triethoxy-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide?
The InChIKey is ZGIUUYWGXORMPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N2O4/c1-6-25-18-11-17(12-19(26-7-2)20(18)27-8-3)21(24)22-13-16-9-10-23(14-16)15(4)5/h11-12,15-16H,6-10,13-14H2,1-5H3,(H,22,24).
What are the key properties of 3,4,5-triethoxy-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide?
3,4,5-triethoxy-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide has a molecular weight of 378.51 g/mol, XLogP of 3.34, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-triethoxy-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide is sourced from PubChem (CID 60598287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).