2-[[2-oxo-2-(2,4,6-trichloroanilino)ethyl]-propylamino]-N-propylacetamide

C16H22Cl3N3O2 — CID 87018436

IUPAC2-[[2-oxo-2-(2,4,6-trichloroanilino)ethyl]-propylamino]-N-propylacetamide
SMILESCCCNC(=O)CN(CCC)CC(=O)Nc1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C16H22Cl3N3O2/c1-3-5-20-14(23)9-22(6-4-2)10-15(24)21-16-12(18)7-11(17)8-13(16)19/h7-8H,3-6,9-10H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyKVGVOUXACHJSFR-UHFFFAOYSA-N
MW394.73 g/mol
LogP3.82
Rot. Bonds9

About 2-[[2-oxo-2-(2,4,6-trichloroanilino)ethyl]-propylamino]-N-propylacetamide

2-[[2-oxo-2-(2,4,6-trichloroanilino)ethyl]-propylamino]-N-propylacetamide (PubChem CID 87018436) has the molecular formula C16H22Cl3N3O2 and a molecular weight of 394.73 g/mol. Its IUPAC name is 2-[[2-oxo-2-(2,4,6-trichloroanilino)ethyl]-propylamino]-N-propylacetamide.

Molecular Properties

Compound Name2-[[2-oxo-2-(2,4,6-trichloroanilino)ethyl]-propylamino]-N-propylacetamide
PubChem CID87018436
Molecular FormulaC16H22Cl3N3O2
Molecular Weight394.73 g/mol
Exact Mass393.08
IUPAC Name2-[[2-oxo-2-(2,4,6-trichloroanilino)ethyl]-propylamino]-N-propylacetamide
SMILESCCCNC(=O)CN(CCC)CC(=O)Nc1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C16H22Cl3N3O2/c1-3-5-20-14(23)9-22(6-4-2)10-15(24)21-16-12(18)7-11(17)8-13(16)19/h7-8H,3-6,9-10H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyKVGVOUXACHJSFR-UHFFFAOYSA-N
XLogP3.82
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.73
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[[2-oxo-2-(2,4,6-trichloroanilino)ethyl]-propylamino]-N-propylacetamide 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

N-(2,6-dichlorophenyl)-3-[[2-oxo-2-(propylamino)ethyl]-propylamino]propanamide
CID 87018474
2-[[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-methylamino]-N-propylacetamide
CID 9289324
N-[2-(2,4-dichlorophenyl)ethyl]-2-(dipropylamino)acetamide
CID 109006595
2-[[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]-propylamino]-N-propylacetamide
CID 87015037
2-[2-hydroxyethyl(methyl)amino]-N-(2,4,6-trichlorophenyl)acetamide
CID 60683836
2-[ethyl(propyl)amino]-N-propylacetamide
CID 135183244
2-[2-hydroxyethyl(prop-2-enyl)amino]-N-(2,4,6-trichlorophenyl)acetamide
CID 115631959
2-[[2-[(5-chlorothiophen-2-yl)methylamino]-2-oxoethyl]-propylamino]-N-propylacetamide
CID 87018489
N-(2,6-dichlorophenyl)-2-[methyl-[2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl]amino]acetamide
CID 26600333
2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-propylamino]-N-propylacetamide
CID 87018457
2-[piperidin-4-yl(propyl)amino]-N-(2,4,6-trichlorophenyl)acetamide
CID 119932936
2-[[2-(2,6-dichloro-3-methylanilino)-2-oxoethyl]-propylamino]acetic acid
CID 61007558

Frequently Asked Questions

What is the IUPAC name of 2-[[2-oxo-2-(2,4,6-trichloroanilino)ethyl]-propylamino]-N-propylacetamide?
The IUPAC name of 2-[[2-oxo-2-(2,4,6-trichloroanilino)ethyl]-propylamino]-N-propylacetamide (CID 87018436) is 2-[[2-oxo-2-(2,4,6-trichloroanilino)ethyl]-propylamino]-N-propylacetamide.
What is the SMILES notation for 2-[[2-oxo-2-(2,4,6-trichloroanilino)ethyl]-propylamino]-N-propylacetamide?
The canonical SMILES for 2-[[2-oxo-2-(2,4,6-trichloroanilino)ethyl]-propylamino]-N-propylacetamide is CCCNC(=O)CN(CCC)CC(=O)Nc1c(Cl)cc(Cl)cc1Cl.
What is the InChIKey of 2-[[2-oxo-2-(2,4,6-trichloroanilino)ethyl]-propylamino]-N-propylacetamide?
The InChIKey is KVGVOUXACHJSFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22Cl3N3O2/c1-3-5-20-14(23)9-22(6-4-2)10-15(24)21-16-12(18)7-11(17)8-13(16)19/h7-8H,3-6,9-10H2,1-2H3,(H,20,23)(H,21,24).
What are the key properties of 2-[[2-oxo-2-(2,4,6-trichloroanilino)ethyl]-propylamino]-N-propylacetamide?
2-[[2-oxo-2-(2,4,6-trichloroanilino)ethyl]-propylamino]-N-propylacetamide has a molecular weight of 394.73 g/mol, XLogP of 3.82, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-oxo-2-(2,4,6-trichloroanilino)ethyl]-propylamino]-N-propylacetamide is sourced from PubChem (CID 87018436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).