4-(2,2-dimethylpropanoylamino)-N,N,2,2-tetramethylbutanamide

C13H26N2O2 — CID 129136804

IUPAC4-(2,2-dimethylpropanoylamino)-N,N,2,2-tetramethylbutanamide
SMILESCN(C)C(=O)C(C)(C)CCNC(=O)C(C)(C)C
InChIInChI=1S/C13H26N2O2/c1-12(2,3)10(16)14-9-8-13(4,5)11(17)15(6)7/h8-9H2,1-7H3,(H,14,16)
InChIKeyXJQOYEBTYBHDDX-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.65
Rot. Bonds4

About 4-(2,2-dimethylpropanoylamino)-N,N,2,2-tetramethylbutanamide

4-(2,2-dimethylpropanoylamino)-N,N,2,2-tetramethylbutanamide (PubChem CID 129136804) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 4-(2,2-dimethylpropanoylamino)-N,N,2,2-tetramethylbutanamide.

Molecular Properties

Compound Name4-(2,2-dimethylpropanoylamino)-N,N,2,2-tetramethylbutanamide
PubChem CID129136804
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name4-(2,2-dimethylpropanoylamino)-N,N,2,2-tetramethylbutanamide
SMILESCN(C)C(=O)C(C)(C)CCNC(=O)C(C)(C)C
InChIInChI=1S/C13H26N2O2/c1-12(2,3)10(16)14-9-8-13(4,5)11(17)15(6)7/h8-9H2,1-7H3,(H,14,16)
InChIKeyXJQOYEBTYBHDDX-UHFFFAOYSA-N
XLogP1.65
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(dimethylamino)-4-oxobutyl]-2,2-dimethylpropanamide
CID 60718041
5-(2,2-dimethylpropanoylamino)-N,2,2-trimethylpentanamide
CID 134364568
N-[4-[methoxy(methyl)amino]-4-oxobutyl]-2,2-dimethylpropanamide
CID 55027776
N-butyl-5-(2,2-dimethylpropanoylamino)-2,2-dimethylpentanamide
CID 170384014
N-(2-hydroxyethyl)-2,2-dimethylpropanamide
CID 15074197
2-[4-(2,2-dimethylpropanoylamino)butanoyl-methylamino]-2-methylpropanoic acid
CID 62817602
N-[2-(dimethylamino)-2-oxoethyl]-2,2-dimethylpropanamide
CID 60667715
ethane;N-(3-hydroxypropyl)-2,2-dimethylpropanamide
CID 144592534
2,2-dimethyl-N-[4-[methyl(propan-2-yl)amino]butyl]propanamide
CID 71936802
2,2-dimethyl-N-tetradecylpropanamide
CID 11220230
3-hydroxy-N,N,2,2-tetramethylpropanamide
CID 10510973
N-(aminomethyl)-2,2-dimethylpropanamide
CID 134421146

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylpropanoylamino)-N,N,2,2-tetramethylbutanamide?
The IUPAC name of 4-(2,2-dimethylpropanoylamino)-N,N,2,2-tetramethylbutanamide (CID 129136804) is 4-(2,2-dimethylpropanoylamino)-N,N,2,2-tetramethylbutanamide.
What is the SMILES notation for 4-(2,2-dimethylpropanoylamino)-N,N,2,2-tetramethylbutanamide?
The canonical SMILES for 4-(2,2-dimethylpropanoylamino)-N,N,2,2-tetramethylbutanamide is CN(C)C(=O)C(C)(C)CCNC(=O)C(C)(C)C.
What is the InChIKey of 4-(2,2-dimethylpropanoylamino)-N,N,2,2-tetramethylbutanamide?
The InChIKey is XJQOYEBTYBHDDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-12(2,3)10(16)14-9-8-13(4,5)11(17)15(6)7/h8-9H2,1-7H3,(H,14,16).
What are the key properties of 4-(2,2-dimethylpropanoylamino)-N,N,2,2-tetramethylbutanamide?
4-(2,2-dimethylpropanoylamino)-N,N,2,2-tetramethylbutanamide has a molecular weight of 242.36 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylpropanoylamino)-N,N,2,2-tetramethylbutanamide is sourced from PubChem (CID 129136804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).