N-(2-methyl-4-oxopentan-3-yl)-2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]acetamide

C16H26N2O2S — CID 79488662

IUPACN-(2-methyl-4-oxopentan-3-yl)-2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]acetamide
SMILESCC(=O)C(NC(=O)CN(C)C(C)Cc1cccs1)C(C)C
InChIInChI=1S/C16H26N2O2S/c1-11(2)16(13(4)19)17-15(20)10-18(5)12(3)9-14-7-6-8-21-14/h6-8,11-12,16H,9-10H2,1-5H3,(H,17,20)
InChIKeyMRAAGMWGIKLQTA-UHFFFAOYSA-N
MW310.46 g/mol
LogP2.34
Rot. Bonds8

About N-(2-methyl-4-oxopentan-3-yl)-2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]acetamide

N-(2-methyl-4-oxopentan-3-yl)-2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]acetamide (PubChem CID 79488662) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is N-(2-methyl-4-oxopentan-3-yl)-2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]acetamide.

Molecular Properties

Compound NameN-(2-methyl-4-oxopentan-3-yl)-2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]acetamide
PubChem CID79488662
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC NameN-(2-methyl-4-oxopentan-3-yl)-2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]acetamide
SMILESCC(=O)C(NC(=O)CN(C)C(C)Cc1cccs1)C(C)C
InChIInChI=1S/C16H26N2O2S/c1-11(2)16(13(4)19)17-15(20)10-18(5)12(3)9-14-7-6-8-21-14/h6-8,11-12,16H,9-10H2,1-5H3,(H,17,20)
InChIKeyMRAAGMWGIKLQTA-UHFFFAOYSA-N
XLogP2.34
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2-methyl-4-oxopentan-3-yl)-2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]acetamide with MolForge

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Related Compounds

2-[methyl-[(2S)-1-thiophen-2-ylpropan-2-yl]amino]-N-[(3R)-2-oxothiolan-3-yl]acetamide
CID 97087904
1-(4-bromophenyl)-2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]ethanone
CID 79486106
1-[methyl(1-thiophen-2-ylpropan-2-yl)amino]propan-2-ol
CID 79485730
N'-methyl-2-methylidene-N'-(1-thiophen-2-ylpropan-2-yl)propane-1,3-diamine
CID 103070954
6-[methyl(1-thiophen-2-ylpropan-2-yl)amino]hexan-2-one
CID 79486782
2,2-dimethyl-3-[methyl(1-thiophen-2-ylpropan-2-yl)amino]propanehydrazide
CID 79630513
1-(5-methylthiophen-2-yl)-2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]ethanone
CID 79486407
3-methyl-2-[methyl(thiophen-2-ylmethyl)amino]butanoic acid
CID 43527695
1-(5-fluoro-2-hydroxyphenyl)-2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]ethanone
CID 79488678
(3R)-3-methyl-4-thiophen-2-ylbutan-2-one
CID 59063213
1-(3,4-dimethylphenyl)-2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]ethanone
CID 79488675
3-[[methyl(1-thiophen-2-ylpropan-2-yl)amino]methyl]furan-2-carbohydrazide
CID 79494200

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-4-oxopentan-3-yl)-2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]acetamide?
The IUPAC name of N-(2-methyl-4-oxopentan-3-yl)-2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]acetamide (CID 79488662) is N-(2-methyl-4-oxopentan-3-yl)-2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]acetamide.
What is the SMILES notation for N-(2-methyl-4-oxopentan-3-yl)-2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]acetamide?
The canonical SMILES for N-(2-methyl-4-oxopentan-3-yl)-2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]acetamide is CC(=O)C(NC(=O)CN(C)C(C)Cc1cccs1)C(C)C.
What is the InChIKey of N-(2-methyl-4-oxopentan-3-yl)-2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]acetamide?
The InChIKey is MRAAGMWGIKLQTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-11(2)16(13(4)19)17-15(20)10-18(5)12(3)9-14-7-6-8-21-14/h6-8,11-12,16H,9-10H2,1-5H3,(H,17,20).
What are the key properties of N-(2-methyl-4-oxopentan-3-yl)-2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]acetamide?
N-(2-methyl-4-oxopentan-3-yl)-2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]acetamide has a molecular weight of 310.46 g/mol, XLogP of 2.34, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-4-oxopentan-3-yl)-2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]acetamide is sourced from PubChem (CID 79488662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).