N-(2,3-dimethylphenyl)-2-[[2-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-methylamino]acetamide

C24H29N3O3 — CID 8552527

IUPACN-(2,3-dimethylphenyl)-2-[[2-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-methylamino]acetamide
SMILESCc1cccc(NC(=O)CN(C)CC(=O)c2cc(C)n(Cc3ccco3)c2C)c1C
InChIInChI=1S/C24H29N3O3/c1-16-8-6-10-22(18(16)3)25-24(29)15-26(5)14-23(28)21-12-17(2)27(19(21)4)13-20-9-7-11-30-20/h6-12H,13-15H2,1-5H3,(H,25,29)
InChIKeyWEGUSFYGBUGZLH-UHFFFAOYSA-N
MW407.51 g/mol
LogP4.12
Rot. Bonds8

About N-(2,3-dimethylphenyl)-2-[[2-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-methylamino]acetamide

N-(2,3-dimethylphenyl)-2-[[2-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-methylamino]acetamide (PubChem CID 8552527) has the molecular formula C24H29N3O3 and a molecular weight of 407.51 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-2-[[2-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-methylamino]acetamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-2-[[2-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-methylamino]acetamide
PubChem CID8552527
Molecular FormulaC24H29N3O3
Molecular Weight407.51 g/mol
Exact Mass407.22
IUPAC NameN-(2,3-dimethylphenyl)-2-[[2-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-methylamino]acetamide
SMILESCc1cccc(NC(=O)CN(C)CC(=O)c2cc(C)n(Cc3ccco3)c2C)c1C
InChIInChI=1S/C24H29N3O3/c1-16-8-6-10-22(18(16)3)25-24(29)15-26(5)14-23(28)21-12-17(2)27(19(21)4)13-20-9-7-11-30-20/h6-12H,13-15H2,1-5H3,(H,25,29)
InChIKeyWEGUSFYGBUGZLH-UHFFFAOYSA-N
XLogP4.12
TPSA67.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.51
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-2-[[2-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-methylamino]acetamide?
The IUPAC name of N-(2,3-dimethylphenyl)-2-[[2-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-methylamino]acetamide (CID 8552527) is N-(2,3-dimethylphenyl)-2-[[2-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-methylamino]acetamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-2-[[2-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-methylamino]acetamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-2-[[2-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-methylamino]acetamide is Cc1cccc(NC(=O)CN(C)CC(=O)c2cc(C)n(Cc3ccco3)c2C)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-2-[[2-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-methylamino]acetamide?
The InChIKey is WEGUSFYGBUGZLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O3/c1-16-8-6-10-22(18(16)3)25-24(29)15-26(5)14-23(28)21-12-17(2)27(19(21)4)13-20-9-7-11-30-20/h6-12H,13-15H2,1-5H3,(H,25,29).
What are the key properties of N-(2,3-dimethylphenyl)-2-[[2-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-methylamino]acetamide?
N-(2,3-dimethylphenyl)-2-[[2-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-methylamino]acetamide has a molecular weight of 407.51 g/mol, XLogP of 4.12, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-2-[[2-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-methylamino]acetamide is sourced from PubChem (CID 8552527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).