3-methyl-N-[2-[3-methylbutanoyl(3-methylbutyl)amino]ethyl]butanamide

C17H34N2O2 — CID 176987317

IUPAC3-methyl-N-[2-[3-methylbutanoyl(3-methylbutyl)amino]ethyl]butanamide
SMILESCC(C)CCN(CCNC(=O)CC(C)C)C(=O)CC(C)C
InChIInChI=1S/C17H34N2O2/c1-13(2)7-9-19(17(21)12-15(5)6)10-8-18-16(20)11-14(3)4/h13-15H,7-12H2,1-6H3,(H,18,20)
InChIKeyXLKQKTMGPLLEEJ-UHFFFAOYSA-N
MW298.47 g/mol
LogP3.07
Rot. Bonds10

About 3-methyl-N-[2-[3-methylbutanoyl(3-methylbutyl)amino]ethyl]butanamide

3-methyl-N-[2-[3-methylbutanoyl(3-methylbutyl)amino]ethyl]butanamide (PubChem CID 176987317) has the molecular formula C17H34N2O2 and a molecular weight of 298.47 g/mol. Its IUPAC name is 3-methyl-N-[2-[3-methylbutanoyl(3-methylbutyl)amino]ethyl]butanamide.

Molecular Properties

Compound Name3-methyl-N-[2-[3-methylbutanoyl(3-methylbutyl)amino]ethyl]butanamide
PubChem CID176987317
Molecular FormulaC17H34N2O2
Molecular Weight298.47 g/mol
Exact Mass298.26
IUPAC Name3-methyl-N-[2-[3-methylbutanoyl(3-methylbutyl)amino]ethyl]butanamide
SMILESCC(C)CCN(CCNC(=O)CC(C)C)C(=O)CC(C)C
InChIInChI=1S/C17H34N2O2/c1-13(2)7-9-19(17(21)12-15(5)6)10-8-18-16(20)11-14(3)4/h13-15H,7-12H2,1-6H3,(H,18,20)
InChIKeyXLKQKTMGPLLEEJ-UHFFFAOYSA-N
XLogP3.07
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[3-methylbutanoyl(3-methylbutyl)amino]propanoic acid
CID 82324105
N-[2-[ethyl(methyl)amino]ethyl]-3-methylbutanamide
CID 146890842
N-[2-[acetyl(3-methylbutyl)amino]ethyl]-2-methylpropanamide
CID 113056803
N-(4-chloropentyl)-3-methylbutanamide
CID 106129611
3-methyl-N-[6-(3-methylbutanoylamino)hexyl]butanamide
CID 3609868
N-[2-(diethylcarbamoylamino)ethyl]-3-methylbutanamide
CID 108570927
3-methyl-N-[2-[methyl-[2-(2-methylpropylcarbamoylamino)ethyl]amino]ethyl]butanamide
CID 167068474
N-[2-[acetyl(3-methylbutyl)amino]ethyl]-2-ethylbutanamide
CID 113056810
N-[2-(dimethylamino)ethyl]-3,7,11,15-tetramethylhexadecanamide
CID 21297929
2-(ethylamino)-N,N-bis(3-methylbutyl)acetamide
CID 60686802
N-(2-ethoxyethyl)-3-methylbutanamide
CID 58439580
4-(methylamino)-N,N-bis(3-methylbutyl)butanamide;hydrochloride
CID 119672594

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-[3-methylbutanoyl(3-methylbutyl)amino]ethyl]butanamide?
The IUPAC name of 3-methyl-N-[2-[3-methylbutanoyl(3-methylbutyl)amino]ethyl]butanamide (CID 176987317) is 3-methyl-N-[2-[3-methylbutanoyl(3-methylbutyl)amino]ethyl]butanamide.
What is the SMILES notation for 3-methyl-N-[2-[3-methylbutanoyl(3-methylbutyl)amino]ethyl]butanamide?
The canonical SMILES for 3-methyl-N-[2-[3-methylbutanoyl(3-methylbutyl)amino]ethyl]butanamide is CC(C)CCN(CCNC(=O)CC(C)C)C(=O)CC(C)C.
What is the InChIKey of 3-methyl-N-[2-[3-methylbutanoyl(3-methylbutyl)amino]ethyl]butanamide?
The InChIKey is XLKQKTMGPLLEEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O2/c1-13(2)7-9-19(17(21)12-15(5)6)10-8-18-16(20)11-14(3)4/h13-15H,7-12H2,1-6H3,(H,18,20).
What are the key properties of 3-methyl-N-[2-[3-methylbutanoyl(3-methylbutyl)amino]ethyl]butanamide?
3-methyl-N-[2-[3-methylbutanoyl(3-methylbutyl)amino]ethyl]butanamide has a molecular weight of 298.47 g/mol, XLogP of 3.07, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-[3-methylbutanoyl(3-methylbutyl)amino]ethyl]butanamide is sourced from PubChem (CID 176987317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).