2-methyl-N-(3,5,5-trimethylheptan-3-yl)butanamide

C15H31NO — CID 174243287

IUPAC2-methyl-N-(3,5,5-trimethylheptan-3-yl)butanamide
SMILESCCC(C)C(=O)NC(C)(CC)CC(C)(C)CC
InChIInChI=1S/C15H31NO/c1-8-12(4)13(17)16-15(7,10-3)11-14(5,6)9-2/h12H,8-11H2,1-7H3,(H,16,17)
InChIKeyYKTMSKSUFASNDX-UHFFFAOYSA-N
MW241.42 g/mol
LogP4.14
Rot. Bonds7

About 2-methyl-N-(3,5,5-trimethylheptan-3-yl)butanamide

2-methyl-N-(3,5,5-trimethylheptan-3-yl)butanamide (PubChem CID 174243287) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is 2-methyl-N-(3,5,5-trimethylheptan-3-yl)butanamide.

Molecular Properties

Compound Name2-methyl-N-(3,5,5-trimethylheptan-3-yl)butanamide
PubChem CID174243287
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC Name2-methyl-N-(3,5,5-trimethylheptan-3-yl)butanamide
SMILESCCC(C)C(=O)NC(C)(CC)CC(C)(C)CC
InChIInChI=1S/C15H31NO/c1-8-12(4)13(17)16-15(7,10-3)11-14(5,6)9-2/h12H,8-11H2,1-7H3,(H,16,17)
InChIKeyYKTMSKSUFASNDX-UHFFFAOYSA-N
XLogP4.14
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-methyl-3-(2-methylbutanoylamino)pentanoic acid
CID 84589310
3-amino-2-methyl-N-(3-methylpentan-3-yl)propanamide
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4-amino-2-methyl-N-(3-methylpentan-3-yl)butanamide
CID 106328547
N-(1-amino-2,4-dimethylpentan-2-yl)-2-methylbutanamide;hydrochloride
CID 119597381
2-bromo-N-(3-methylpentan-3-yl)butanamide
CID 106328360
2-amino-N-(3-methylpentan-3-yl)butanamide
CID 103796916
N-(1-amino-3-methylpentan-3-yl)-2-methylpentanamide
CID 106164528
(4R)-2-ethyl-4-methyl-N,N'-bis(2-methylbutan-2-yl)pentanediamide
CID 90141607
2-ethyl-N-(1-hydroxy-2-methylbutan-2-yl)butanamide
CID 64557769
(2S)-2-amino-3-methyl-N-(3-methylpentan-3-yl)butanamide
CID 106328618
2-amino-N-(1-hydroxy-3-methylpentan-3-yl)-3-methylpentanamide
CID 106176135
2-methyl-N-(2-methyl-1-sulfanyloxypropan-2-yl)butanamide
CID 123819756

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(3,5,5-trimethylheptan-3-yl)butanamide?
The IUPAC name of 2-methyl-N-(3,5,5-trimethylheptan-3-yl)butanamide (CID 174243287) is 2-methyl-N-(3,5,5-trimethylheptan-3-yl)butanamide.
What is the SMILES notation for 2-methyl-N-(3,5,5-trimethylheptan-3-yl)butanamide?
The canonical SMILES for 2-methyl-N-(3,5,5-trimethylheptan-3-yl)butanamide is CCC(C)C(=O)NC(C)(CC)CC(C)(C)CC.
What is the InChIKey of 2-methyl-N-(3,5,5-trimethylheptan-3-yl)butanamide?
The InChIKey is YKTMSKSUFASNDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-8-12(4)13(17)16-15(7,10-3)11-14(5,6)9-2/h12H,8-11H2,1-7H3,(H,16,17).
What are the key properties of 2-methyl-N-(3,5,5-trimethylheptan-3-yl)butanamide?
2-methyl-N-(3,5,5-trimethylheptan-3-yl)butanamide has a molecular weight of 241.42 g/mol, XLogP of 4.14, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(3,5,5-trimethylheptan-3-yl)butanamide is sourced from PubChem (CID 174243287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).