2-[[2-[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide

C24H35N3O4 — CID 26649624

IUPAC2-[[2-[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide
SMILESCOc1ccc(CCn2c(C)cc(C(=O)CN(C)CC(=O)NC(C)C)c2C)cc1OC
InChIInChI=1S/C24H35N3O4/c1-16(2)25-24(29)15-26(5)14-21(28)20-12-17(3)27(18(20)4)11-10-19-8-9-22(30-6)23(13-19)31-7/h8-9,12-13,16H,10-11,14-15H2,1-7H3,(H,25,29)
InChIKeyPHKJECUYQXVXOU-UHFFFAOYSA-N
MW429.56 g/mol
LogP3.00
Rot. Bonds11

About 2-[[2-[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide

2-[[2-[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide (PubChem CID 26649624) has the molecular formula C24H35N3O4 and a molecular weight of 429.56 g/mol. Its IUPAC name is 2-[[2-[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[[2-[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide
PubChem CID26649624
Molecular FormulaC24H35N3O4
Molecular Weight429.56 g/mol
Exact Mass429.26
IUPAC Name2-[[2-[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide
SMILESCOc1ccc(CCn2c(C)cc(C(=O)CN(C)CC(=O)NC(C)C)c2C)cc1OC
InChIInChI=1S/C24H35N3O4/c1-16(2)25-24(29)15-26(5)14-21(28)20-12-17(3)27(18(20)4)11-10-19-8-9-22(30-6)23(13-19)31-7/h8-9,12-13,16H,10-11,14-15H2,1-7H3,(H,25,29)
InChIKeyPHKJECUYQXVXOU-UHFFFAOYSA-N
XLogP3.00
TPSA72.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.56
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 2-(3,4-dimethoxyphenyl)acetate
CID 42015082
1-[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dimethylpyrrol-3-yl]-2-morpholin-4-ium-4-ylethanone
CID 9276085
3-(3,4-dimethoxyphenyl)-N-propan-2-ylpropanamide
CID 19220709
2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-N-(propan-2-ylcarbamoyl)acetamide
CID 8583865
2-[[2-[2,5-dimethyl-1-(2-phenylethyl)pyrrol-3-yl]-2-oxoethyl]-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 78828807
1-[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dimethylpyrrol-3-yl]-2-(1-phenyltetrazol-5-yl)sulfanylethanone
CID 1184236
2-[4-[2-[2,5-dimethyl-1-(2-phenylethyl)pyrrol-3-yl]-2-oxoethyl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 78817641
1-[2-(3,4-dimethoxyphenyl)ethyl]-5-ethyl-2-methylpyrrole-3-carboxamide
CID 3723849
4-[2-(3,4-dimethoxyphenyl)ethyl]-N-propan-2-ylpiperazine-1-carboxamide
CID 113074544
N-[2-(3,4-dimethoxyphenyl)ethyl]-1,2,5-trimethylpyrrole-3-carboxamide
CID 110691269
2-[[2-(2,4-dimethylphenyl)-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide
CID 60681807
2-[methyl-[2-(2-methylphenyl)-2-oxoethyl]amino]-N-propan-2-ylacetamide
CID 62035982

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[[2-[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide (CID 26649624) is 2-[[2-[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[[2-[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[[2-[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide is COc1ccc(CCn2c(C)cc(C(=O)CN(C)CC(=O)NC(C)C)c2C)cc1OC.
What is the InChIKey of 2-[[2-[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide?
The InChIKey is PHKJECUYQXVXOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N3O4/c1-16(2)25-24(29)15-26(5)14-21(28)20-12-17(3)27(18(20)4)11-10-19-8-9-22(30-6)23(13-19)31-7/h8-9,12-13,16H,10-11,14-15H2,1-7H3,(H,25,29).
What are the key properties of 2-[[2-[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide?
2-[[2-[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide has a molecular weight of 429.56 g/mol, XLogP of 3.00, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide is sourced from PubChem (CID 26649624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).