4-(2-amino-2-oxoethoxy)-N-[(2-butyl-1-benzofuran-3-yl)methyl]-3,5-dimethoxy-N-methylbenzamide

C25H30N2O6 — CID 55429671

IUPAC4-(2-amino-2-oxoethoxy)-N-[(2-butyl-1-benzofuran-3-yl)methyl]-3,5-dimethoxy-N-methylbenzamide
SMILESCCCCc1oc2ccccc2c1CN(C)C(=O)c1cc(OC)c(OCC(N)=O)c(OC)c1
InChIInChI=1S/C25H30N2O6/c1-5-6-10-20-18(17-9-7-8-11-19(17)33-20)14-27(2)25(29)16-12-21(30-3)24(22(13-16)31-4)32-15-23(26)28/h7-9,11-13H,5-6,10,14-15H2,1-4H3,(H2,26,28)
InChIKeyRGWOTXLRVXPRNX-UHFFFAOYSA-N
MW454.52 g/mol
LogP3.93
Rot. Bonds11

About 4-(2-amino-2-oxoethoxy)-N-[(2-butyl-1-benzofuran-3-yl)methyl]-3,5-dimethoxy-N-methylbenzamide

4-(2-amino-2-oxoethoxy)-N-[(2-butyl-1-benzofuran-3-yl)methyl]-3,5-dimethoxy-N-methylbenzamide (PubChem CID 55429671) has the molecular formula C25H30N2O6 and a molecular weight of 454.52 g/mol. Its IUPAC name is 4-(2-amino-2-oxoethoxy)-N-[(2-butyl-1-benzofuran-3-yl)methyl]-3,5-dimethoxy-N-methylbenzamide.

Molecular Properties

Compound Name4-(2-amino-2-oxoethoxy)-N-[(2-butyl-1-benzofuran-3-yl)methyl]-3,5-dimethoxy-N-methylbenzamide
PubChem CID55429671
Molecular FormulaC25H30N2O6
Molecular Weight454.52 g/mol
Exact Mass454.21
IUPAC Name4-(2-amino-2-oxoethoxy)-N-[(2-butyl-1-benzofuran-3-yl)methyl]-3,5-dimethoxy-N-methylbenzamide
SMILESCCCCc1oc2ccccc2c1CN(C)C(=O)c1cc(OC)c(OCC(N)=O)c(OC)c1
InChIInChI=1S/C25H30N2O6/c1-5-6-10-20-18(17-9-7-8-11-19(17)33-20)14-27(2)25(29)16-12-21(30-3)24(22(13-16)31-4)32-15-23(26)28/h7-9,11-13H,5-6,10,14-15H2,1-4H3,(H2,26,28)
InChIKeyRGWOTXLRVXPRNX-UHFFFAOYSA-N
XLogP3.93
TPSA104.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.52
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-2-oxoethoxy)-N-[(2-butyl-1-benzofuran-3-yl)methyl]-3,5-dimethoxy-N-methylbenzamide?
The IUPAC name of 4-(2-amino-2-oxoethoxy)-N-[(2-butyl-1-benzofuran-3-yl)methyl]-3,5-dimethoxy-N-methylbenzamide (CID 55429671) is 4-(2-amino-2-oxoethoxy)-N-[(2-butyl-1-benzofuran-3-yl)methyl]-3,5-dimethoxy-N-methylbenzamide.
What is the SMILES notation for 4-(2-amino-2-oxoethoxy)-N-[(2-butyl-1-benzofuran-3-yl)methyl]-3,5-dimethoxy-N-methylbenzamide?
The canonical SMILES for 4-(2-amino-2-oxoethoxy)-N-[(2-butyl-1-benzofuran-3-yl)methyl]-3,5-dimethoxy-N-methylbenzamide is CCCCc1oc2ccccc2c1CN(C)C(=O)c1cc(OC)c(OCC(N)=O)c(OC)c1.
What is the InChIKey of 4-(2-amino-2-oxoethoxy)-N-[(2-butyl-1-benzofuran-3-yl)methyl]-3,5-dimethoxy-N-methylbenzamide?
The InChIKey is RGWOTXLRVXPRNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O6/c1-5-6-10-20-18(17-9-7-8-11-19(17)33-20)14-27(2)25(29)16-12-21(30-3)24(22(13-16)31-4)32-15-23(26)28/h7-9,11-13H,5-6,10,14-15H2,1-4H3,(H2,26,28).
What are the key properties of 4-(2-amino-2-oxoethoxy)-N-[(2-butyl-1-benzofuran-3-yl)methyl]-3,5-dimethoxy-N-methylbenzamide?
4-(2-amino-2-oxoethoxy)-N-[(2-butyl-1-benzofuran-3-yl)methyl]-3,5-dimethoxy-N-methylbenzamide has a molecular weight of 454.52 g/mol, XLogP of 3.93, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-2-oxoethoxy)-N-[(2-butyl-1-benzofuran-3-yl)methyl]-3,5-dimethoxy-N-methylbenzamide is sourced from PubChem (CID 55429671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).