2-acetamido-N-tert-butylpropanamide

C9H18N2O2 — CID 14753120

IUPAC2-acetamido-N-tert-butylpropanamide
SMILESCC(=O)NC(C)C(=O)NC(C)(C)C
InChIInChI=1S/C9H18N2O2/c1-6(10-7(2)12)8(13)11-9(3,4)5/h6H,1-5H3,(H,10,12)(H,11,13)
InChIKeyQUIPUVILMYWSJS-UHFFFAOYSA-N
MW186.25 g/mol
LogP0.43
Rot. Bonds2

About 2-acetamido-N-tert-butylpropanamide

2-acetamido-N-tert-butylpropanamide (PubChem CID 14753120) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 2-acetamido-N-tert-butylpropanamide.

Molecular Properties

Compound Name2-acetamido-N-tert-butylpropanamide
PubChem CID14753120
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name2-acetamido-N-tert-butylpropanamide
SMILESCC(=O)NC(C)C(=O)NC(C)(C)C
InChIInChI=1S/C9H18N2O2/c1-6(10-7(2)12)8(13)11-9(3,4)5/h6H,1-5H3,(H,10,12)(H,11,13)
InChIKeyQUIPUVILMYWSJS-UHFFFAOYSA-N
XLogP0.43
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,6-Dimethylpiperazine-2,5-dione
CID 97704
2-Piperazinone, 3,3-dimethyl-
CID 211157
Cyclo(alanyl-glycyl)
CID 107297
Cyclo(alanylalanyl)
CID 165356
L-Alanylglycinamide
CID 7019037
Glycyl-l-alaninamide
CID 7019077
(2S)-2-amino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]propanamide
CID 10989432
(2S)-2-acetamido-5-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)pentanamide
CID 138591495
2-((1-Hydroxyethylidene)amino)-N-methylpropanimidic acid
CID 141892
Alanine anhydride, trans-(A+-)-
CID 676438
N,N'-bis(2-methylpropyl)oxamide
CID 314340
D-Alanine anhydride
CID 676439

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-tert-butylpropanamide?
The IUPAC name of 2-acetamido-N-tert-butylpropanamide (CID 14753120) is 2-acetamido-N-tert-butylpropanamide.
What is the SMILES notation for 2-acetamido-N-tert-butylpropanamide?
The canonical SMILES for 2-acetamido-N-tert-butylpropanamide is CC(=O)NC(C)C(=O)NC(C)(C)C.
What is the InChIKey of 2-acetamido-N-tert-butylpropanamide?
The InChIKey is QUIPUVILMYWSJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-6(10-7(2)12)8(13)11-9(3,4)5/h6H,1-5H3,(H,10,12)(H,11,13).
What are the key properties of 2-acetamido-N-tert-butylpropanamide?
2-acetamido-N-tert-butylpropanamide has a molecular weight of 186.25 g/mol, XLogP of 0.43, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-tert-butylpropanamide is sourced from PubChem (CID 14753120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).