2-[[1-(3,4-dimethylphenyl)-1-oxopropan-2-yl]-(2-methylpropyl)amino]acetamide

C17H26N2O2 — CID 62035856

IUPAC2-[[1-(3,4-dimethylphenyl)-1-oxopropan-2-yl]-(2-methylpropyl)amino]acetamide
SMILESCc1ccc(C(=O)C(C)N(CC(N)=O)CC(C)C)cc1C
InChIInChI=1S/C17H26N2O2/c1-11(2)9-19(10-16(18)20)14(5)17(21)15-7-6-12(3)13(4)8-15/h6-8,11,14H,9-10H2,1-5H3,(H2,18,20)
InChIKeyBRMSKGDDQIIHMP-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.32
Rot. Bonds7

About 2-[[1-(3,4-dimethylphenyl)-1-oxopropan-2-yl]-(2-methylpropyl)amino]acetamide

2-[[1-(3,4-dimethylphenyl)-1-oxopropan-2-yl]-(2-methylpropyl)amino]acetamide (PubChem CID 62035856) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-[[1-(3,4-dimethylphenyl)-1-oxopropan-2-yl]-(2-methylpropyl)amino]acetamide.

Molecular Properties

Compound Name2-[[1-(3,4-dimethylphenyl)-1-oxopropan-2-yl]-(2-methylpropyl)amino]acetamide
PubChem CID62035856
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name2-[[1-(3,4-dimethylphenyl)-1-oxopropan-2-yl]-(2-methylpropyl)amino]acetamide
SMILESCc1ccc(C(=O)C(C)N(CC(N)=O)CC(C)C)cc1C
InChIInChI=1S/C17H26N2O2/c1-11(2)9-19(10-16(18)20)14(5)17(21)15-7-6-12(3)13(4)8-15/h6-8,11,14H,9-10H2,1-5H3,(H2,18,20)
InChIKeyBRMSKGDDQIIHMP-UHFFFAOYSA-N
XLogP2.32
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dimethylphenyl)-2-[ethyl(methyl)amino]propan-1-one
CID 43794892
2-[(2-amino-2-oxoethyl)-(1-oxo-1-phenylpropan-2-yl)amino]acetamide
CID 62921694
1-(4-aminophenyl)-2-[bis(2-methylpropyl)amino]propan-1-one
CID 82256468
2-[cyclopropyl(3-methylbutyl)amino]-1-(3,4-dimethylphenyl)propan-1-one
CID 78944907
1-(3,4-dimethylphenyl)-2-[methyl(1-methylsulfanylpropan-2-yl)amino]propan-1-one
CID 112662142
1-(3,4-dimethylphenyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]propan-1-one
CID 79390731
2-[butyl-[1-(3,4-difluorophenyl)-1-oxopropan-2-yl]amino]acetamide
CID 62053086
N-(2-amino-2-oxoethyl)-3-hydroxy-4-methyl-N-(2-methylpropyl)benzamide
CID 55003400
2-[ethyl-(1-oxo-1-phenylpropan-2-yl)amino]acetamide
CID 103103066
N-(2-amino-2-oxoethyl)-4-chloro-3-methyl-N-(2-methylpropyl)benzamide
CID 91659506
2-[[2-amino-1-(2-methylphenyl)ethyl]-(2-methylpropyl)amino]acetamide
CID 55018380
2-(3,4-dimethylphenoxy)-1-(3,4-dimethylphenyl)propan-1-one
CID 43412320

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(3,4-dimethylphenyl)-1-oxopropan-2-yl]-(2-methylpropyl)amino]acetamide?
The IUPAC name of 2-[[1-(3,4-dimethylphenyl)-1-oxopropan-2-yl]-(2-methylpropyl)amino]acetamide (CID 62035856) is 2-[[1-(3,4-dimethylphenyl)-1-oxopropan-2-yl]-(2-methylpropyl)amino]acetamide.
What is the SMILES notation for 2-[[1-(3,4-dimethylphenyl)-1-oxopropan-2-yl]-(2-methylpropyl)amino]acetamide?
The canonical SMILES for 2-[[1-(3,4-dimethylphenyl)-1-oxopropan-2-yl]-(2-methylpropyl)amino]acetamide is Cc1ccc(C(=O)C(C)N(CC(N)=O)CC(C)C)cc1C.
What is the InChIKey of 2-[[1-(3,4-dimethylphenyl)-1-oxopropan-2-yl]-(2-methylpropyl)amino]acetamide?
The InChIKey is BRMSKGDDQIIHMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-11(2)9-19(10-16(18)20)14(5)17(21)15-7-6-12(3)13(4)8-15/h6-8,11,14H,9-10H2,1-5H3,(H2,18,20).
What are the key properties of 2-[[1-(3,4-dimethylphenyl)-1-oxopropan-2-yl]-(2-methylpropyl)amino]acetamide?
2-[[1-(3,4-dimethylphenyl)-1-oxopropan-2-yl]-(2-methylpropyl)amino]acetamide has a molecular weight of 290.41 g/mol, XLogP of 2.32, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(3,4-dimethylphenyl)-1-oxopropan-2-yl]-(2-methylpropyl)amino]acetamide is sourced from PubChem (CID 62035856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).