2-acetamido-N-(2-amino-2-methylpropyl)acetamide

C8H17N3O2 — CID 81482471

IUPAC2-acetamido-N-(2-amino-2-methylpropyl)acetamide
SMILESCC(=O)NCC(=O)NCC(C)(C)N
InChIInChI=1S/C8H17N3O2/c1-6(12)10-4-7(13)11-5-8(2,3)9/h4-5,9H2,1-3H3,(H,10,12)(H,11,13)
InChIKeyWPFGNXWIDRIYCH-UHFFFAOYSA-N
MW187.24 g/mol
LogP-1.02
Rot. Bonds4

About 2-acetamido-N-(2-amino-2-methylpropyl)acetamide

2-acetamido-N-(2-amino-2-methylpropyl)acetamide (PubChem CID 81482471) has the molecular formula C8H17N3O2 and a molecular weight of 187.24 g/mol. Its IUPAC name is 2-acetamido-N-(2-amino-2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-acetamido-N-(2-amino-2-methylpropyl)acetamide
PubChem CID81482471
Molecular FormulaC8H17N3O2
Molecular Weight187.24 g/mol
Exact Mass187.13
IUPAC Name2-acetamido-N-(2-amino-2-methylpropyl)acetamide
SMILESCC(=O)NCC(=O)NCC(C)(C)N
InChIInChI=1S/C8H17N3O2/c1-6(12)10-4-7(13)11-5-8(2,3)9/h4-5,9H2,1-3H3,(H,10,12)(H,11,13)
InChIKeyWPFGNXWIDRIYCH-UHFFFAOYSA-N
XLogP-1.02
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 5-1.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-acetamidoacetyl)amino]-2,2-dimethylpropanoic acid
CID 115427067
2-acetamido-N-(2-hydroxy-2,4-dimethylpentyl)acetamide
CID 66178769
[(2-acetamidoacetyl)amino]methyl acetate
CID 126495792
N-(2-amino-2-methylpropyl)-2-[ethylsulfonyl(methyl)amino]acetamide
CID 119627585
2-acetamido-N-(4-hydroxy-2-methylbutan-2-yl)acetamide
CID 115968810
2-[(2-amino-2-methylpropyl)amino]-2-oxoacetic acid
CID 131207029
N'-(2-amino-2-methylpropyl)-N-propylpentanediamide
CID 119630026
N-(2-amino-2-methylpropyl)-3,5,5-trimethylhexanamide
CID 115303265
2-[[(2-acetamidoacetyl)amino]methyl]-3-methylbutanoic acid
CID 65215296
2-acetamido-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
CID 103726360
2-acetamido-N-[2-(ethylamino)ethyl]acetamide
CID 62657470
methyl (2R)-2-[[2-[(2-acetamidoacetyl)amino]acetyl]amino]propanoate
CID 134741415

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-(2-amino-2-methylpropyl)acetamide?
The IUPAC name of 2-acetamido-N-(2-amino-2-methylpropyl)acetamide (CID 81482471) is 2-acetamido-N-(2-amino-2-methylpropyl)acetamide.
What is the SMILES notation for 2-acetamido-N-(2-amino-2-methylpropyl)acetamide?
The canonical SMILES for 2-acetamido-N-(2-amino-2-methylpropyl)acetamide is CC(=O)NCC(=O)NCC(C)(C)N.
What is the InChIKey of 2-acetamido-N-(2-amino-2-methylpropyl)acetamide?
The InChIKey is WPFGNXWIDRIYCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O2/c1-6(12)10-4-7(13)11-5-8(2,3)9/h4-5,9H2,1-3H3,(H,10,12)(H,11,13).
What are the key properties of 2-acetamido-N-(2-amino-2-methylpropyl)acetamide?
2-acetamido-N-(2-amino-2-methylpropyl)acetamide has a molecular weight of 187.24 g/mol, XLogP of -1.02, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-(2-amino-2-methylpropyl)acetamide is sourced from PubChem (CID 81482471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).