2-[[2-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-oxoethyl]-propylamino]-N-(2-methoxyphenyl)acetamide

C23H31N3O3 — CID 78818986

IUPAC2-[[2-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-oxoethyl]-propylamino]-N-(2-methoxyphenyl)acetamide
SMILESC=CCn1c(C)cc(C(=O)CN(CCC)CC(=O)Nc2ccccc2OC)c1C
InChIInChI=1S/C23H31N3O3/c1-6-12-25(16-23(28)24-20-10-8-9-11-22(20)29-5)15-21(27)19-14-17(3)26(13-7-2)18(19)4/h7-11,14H,2,6,12-13,15-16H2,1,3-5H3,(H,24,28)
InChIKeyKAEVFOWJUXZZQL-UHFFFAOYSA-N
MW397.52 g/mol
LogP3.83
Rot. Bonds11

About 2-[[2-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-oxoethyl]-propylamino]-N-(2-methoxyphenyl)acetamide

2-[[2-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-oxoethyl]-propylamino]-N-(2-methoxyphenyl)acetamide (PubChem CID 78818986) has the molecular formula C23H31N3O3 and a molecular weight of 397.52 g/mol. Its IUPAC name is 2-[[2-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-oxoethyl]-propylamino]-N-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[[2-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-oxoethyl]-propylamino]-N-(2-methoxyphenyl)acetamide
PubChem CID78818986
Molecular FormulaC23H31N3O3
Molecular Weight397.52 g/mol
Exact Mass397.24
IUPAC Name2-[[2-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-oxoethyl]-propylamino]-N-(2-methoxyphenyl)acetamide
SMILESC=CCn1c(C)cc(C(=O)CN(CCC)CC(=O)Nc2ccccc2OC)c1C
InChIInChI=1S/C23H31N3O3/c1-6-12-25(16-23(28)24-20-10-8-9-11-22(20)29-5)15-21(27)19-14-17(3)26(13-7-2)18(19)4/h7-11,14H,2,6,12-13,15-16H2,1,3-5H3,(H,24,28)
InChIKeyKAEVFOWJUXZZQL-UHFFFAOYSA-N
XLogP3.83
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-[[2-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-oxoethyl]-propylamino]-N-(2-methoxyphenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[2-(2-methoxyanilino)-2-oxoethyl]-propylamino]-N-prop-2-enylacetamide
CID 27239631
2-[hexyl(propyl)amino]-N-(2-methoxyphenyl)acetamide
CID 78820994
2-[[2-[1-(2-cyanoethyl)indol-3-yl]-2-oxoethyl]-propylamino]-N-(2-methoxyphenyl)acetamide
CID 78818987
N-benzyl-2-[[2-(2-methoxyanilino)-2-oxoethyl]-propylamino]acetamide
CID 9168900
3-[[2-(2-methoxyanilino)-2-oxoethyl]-prop-2-enylamino]propanoic acid
CID 82326650
2-[(6,7-dimethyl-2-oxochromen-4-yl)methyl-propylamino]-N-(2-methoxyphenyl)acetamide
CID 9168558
2-[butyl(methyl)amino]-1-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)ethanone
CID 78793784
methyl 5-[2-[[2-(2-methoxyanilino)-2-oxoethyl]-propylamino]acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 9168578
2-[bis(2-hydroxyethyl)amino]-N-(2-methoxyphenyl)acetamide
CID 18870897
2-[acetyl(prop-2-enyl)amino]-N-(2-methoxyphenyl)acetamide
CID 84571235
N-cyclooctyl-2-[[2-(2-methoxyanilino)-2-oxoethyl]-propylamino]acetamide
CID 27098874
2-[[2-(5-chloro-2-cyanoanilino)-2-oxoethyl]-propylamino]-N-(2-methoxyphenyl)acetamide
CID 9168823

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-oxoethyl]-propylamino]-N-(2-methoxyphenyl)acetamide?
The IUPAC name of 2-[[2-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-oxoethyl]-propylamino]-N-(2-methoxyphenyl)acetamide (CID 78818986) is 2-[[2-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-oxoethyl]-propylamino]-N-(2-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[[2-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-oxoethyl]-propylamino]-N-(2-methoxyphenyl)acetamide?
The canonical SMILES for 2-[[2-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-oxoethyl]-propylamino]-N-(2-methoxyphenyl)acetamide is C=CCn1c(C)cc(C(=O)CN(CCC)CC(=O)Nc2ccccc2OC)c1C.
What is the InChIKey of 2-[[2-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-oxoethyl]-propylamino]-N-(2-methoxyphenyl)acetamide?
The InChIKey is KAEVFOWJUXZZQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O3/c1-6-12-25(16-23(28)24-20-10-8-9-11-22(20)29-5)15-21(27)19-14-17(3)26(13-7-2)18(19)4/h7-11,14H,2,6,12-13,15-16H2,1,3-5H3,(H,24,28).
What are the key properties of 2-[[2-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-oxoethyl]-propylamino]-N-(2-methoxyphenyl)acetamide?
2-[[2-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-oxoethyl]-propylamino]-N-(2-methoxyphenyl)acetamide has a molecular weight of 397.52 g/mol, XLogP of 3.83, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)-2-oxoethyl]-propylamino]-N-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 78818986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).