2-[[2-[1-(3,4-dimethylphenyl)ethylamino]-2-oxoethyl]-propan-2-ylamino]acetamide

C17H27N3O2 — CID 51243480

IUPAC2-[[2-[1-(3,4-dimethylphenyl)ethylamino]-2-oxoethyl]-propan-2-ylamino]acetamide
SMILESCc1ccc(C(C)NC(=O)CN(CC(N)=O)C(C)C)cc1C
InChIInChI=1S/C17H27N3O2/c1-11(2)20(9-16(18)21)10-17(22)19-14(5)15-7-6-12(3)13(4)8-15/h6-8,11,14H,9-10H2,1-5H3,(H2,18,21)(H,19,22)
InChIKeyDUMLCLSGALDNPM-UHFFFAOYSA-N
MW305.42 g/mol
LogP1.68
Rot. Bonds7

About 2-[[2-[1-(3,4-dimethylphenyl)ethylamino]-2-oxoethyl]-propan-2-ylamino]acetamide

2-[[2-[1-(3,4-dimethylphenyl)ethylamino]-2-oxoethyl]-propan-2-ylamino]acetamide (PubChem CID 51243480) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is 2-[[2-[1-(3,4-dimethylphenyl)ethylamino]-2-oxoethyl]-propan-2-ylamino]acetamide.

Molecular Properties

Compound Name2-[[2-[1-(3,4-dimethylphenyl)ethylamino]-2-oxoethyl]-propan-2-ylamino]acetamide
PubChem CID51243480
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name2-[[2-[1-(3,4-dimethylphenyl)ethylamino]-2-oxoethyl]-propan-2-ylamino]acetamide
SMILESCc1ccc(C(C)NC(=O)CN(CC(N)=O)C(C)C)cc1C
InChIInChI=1S/C17H27N3O2/c1-11(2)20(9-16(18)21)10-17(22)19-14(5)15-7-6-12(3)13(4)8-15/h6-8,11,14H,9-10H2,1-5H3,(H2,18,21)(H,19,22)
InChIKeyDUMLCLSGALDNPM-UHFFFAOYSA-N
XLogP1.68
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-[1-(3,4-dimethylphenyl)ethylamino]-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide
CID 51224203
2-[bis(2-hydroxyethyl)amino]-N-[1-(3,4-dimethylphenyl)ethyl]acetamide
CID 110881147
2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-N-[(1R)-1-(3,4-dimethylphenyl)ethyl]acetamide
CID 34161966
2-[[2-[[(1R)-1-(3,4-dimethylphenyl)ethyl]amino]-2-oxoethyl]-ethylamino]-N-propan-2-ylacetamide
CID 8906855
ethyl N-[2-[[2-[[(1S)-1-(3,4-dimethylphenyl)ethyl]amino]-2-oxoethyl]-ethylamino]acetyl]carbamate
CID 8905009
N-[1-(3,4-dimethylphenyl)ethyl]-2-(4-fluoro-N-methylsulfonylanilino)acetamide
CID 43895867
2-(3,5-dimethyl-N-methylsulfonylanilino)-N-[1-(3,4-dimethylphenyl)ethyl]acetamide
CID 43895310
3-chloro-N-[1-(3,4-dimethylphenyl)ethyl]propanamide
CID 17326498
N-[1-(3,4-dimethylphenyl)ethyl]-2-(4-iodo-N-methylsulfonylanilino)acetamide
CID 43897371
2-(2,4-difluoro-N-methylsulfonylanilino)-N-[1-(3,4-dimethylphenyl)ethyl]acetamide
CID 132660256
N-[1-(3,4-dimethylphenyl)ethyl]-2-[N-(dimethylsulfamoyl)anilino]acetamide
CID 132659078
N-[1-(3,4-dimethylphenyl)ethyl]-2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]acetamide
CID 132665488

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[1-(3,4-dimethylphenyl)ethylamino]-2-oxoethyl]-propan-2-ylamino]acetamide?
The IUPAC name of 2-[[2-[1-(3,4-dimethylphenyl)ethylamino]-2-oxoethyl]-propan-2-ylamino]acetamide (CID 51243480) is 2-[[2-[1-(3,4-dimethylphenyl)ethylamino]-2-oxoethyl]-propan-2-ylamino]acetamide.
What is the SMILES notation for 2-[[2-[1-(3,4-dimethylphenyl)ethylamino]-2-oxoethyl]-propan-2-ylamino]acetamide?
The canonical SMILES for 2-[[2-[1-(3,4-dimethylphenyl)ethylamino]-2-oxoethyl]-propan-2-ylamino]acetamide is Cc1ccc(C(C)NC(=O)CN(CC(N)=O)C(C)C)cc1C.
What is the InChIKey of 2-[[2-[1-(3,4-dimethylphenyl)ethylamino]-2-oxoethyl]-propan-2-ylamino]acetamide?
The InChIKey is DUMLCLSGALDNPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-11(2)20(9-16(18)21)10-17(22)19-14(5)15-7-6-12(3)13(4)8-15/h6-8,11,14H,9-10H2,1-5H3,(H2,18,21)(H,19,22).
What are the key properties of 2-[[2-[1-(3,4-dimethylphenyl)ethylamino]-2-oxoethyl]-propan-2-ylamino]acetamide?
2-[[2-[1-(3,4-dimethylphenyl)ethylamino]-2-oxoethyl]-propan-2-ylamino]acetamide has a molecular weight of 305.42 g/mol, XLogP of 1.68, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[1-(3,4-dimethylphenyl)ethylamino]-2-oxoethyl]-propan-2-ylamino]acetamide is sourced from PubChem (CID 51243480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).