3-methyl-N-(2,4,4-trimethylpentan-2-yl)butanamide

C13H27NO — CID 17381763

IUPAC3-methyl-N-(2,4,4-trimethylpentan-2-yl)butanamide
SMILESCC(C)CC(=O)NC(C)(C)CC(C)(C)C
InChIInChI=1S/C13H27NO/c1-10(2)8-11(15)14-13(6,7)9-12(3,4)5/h10H,8-9H2,1-7H3,(H,14,15)
InChIKeyIUMVCUNVJXQNHP-UHFFFAOYSA-N
MW213.36 g/mol
LogP3.36
Rot. Bonds4

About 3-methyl-N-(2,4,4-trimethylpentan-2-yl)butanamide

3-methyl-N-(2,4,4-trimethylpentan-2-yl)butanamide (PubChem CID 17381763) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 3-methyl-N-(2,4,4-trimethylpentan-2-yl)butanamide.

Molecular Properties

Compound Name3-methyl-N-(2,4,4-trimethylpentan-2-yl)butanamide
PubChem CID17381763
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name3-methyl-N-(2,4,4-trimethylpentan-2-yl)butanamide
SMILESCC(C)CC(=O)NC(C)(C)CC(C)(C)C
InChIInChI=1S/C13H27NO/c1-10(2)8-11(15)14-13(6,7)9-12(3,4)5/h10H,8-9H2,1-7H3,(H,14,15)
InChIKeyIUMVCUNVJXQNHP-UHFFFAOYSA-N
XLogP3.36
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-formyl-2,4-dimethyl-2-(methylamino)-4-(3-methylbutanoylamino)pentanamide
CID 174253656
3-hydroxy-N-(2-methylbutan-2-yl)butanamide
CID 87908743
N-(1-hydroxy-2-methylpropan-2-yl)-3,5,5-trimethylhexanamide
CID 43500958
2,3-dimethyl-2-(3-methylbutanoylamino)butanoic acid
CID 115910241
N-(2-cyanopropan-2-yl)-3-methylbutanamide
CID 60967814
N-(2-isocyanopropan-2-yl)-3-methylbutanamide
CID 88849340
N-(1-hydroxy-2-methylbutan-2-yl)-3-methylbutanamide
CID 64556014
3-(dimethylamino)-N-(2,4,4-trimethylpentan-2-yl)propanamide
CID 3024639
2-amino-N-(2,4,4,5-tetramethylhexan-2-yl)acetamide
CID 139298143
1-tert-butyl-3-(2,4,4-trimethylpentan-2-yl)urea
CID 58798763
(2S)-2-(2,4,4-trimethylpentan-2-ylcarbamoylamino)propanoic acid
CID 78974776
1-propan-2-yl-3-(2,4,4-trimethylpentan-2-yl)thiourea
CID 17276890

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2,4,4-trimethylpentan-2-yl)butanamide?
The IUPAC name of 3-methyl-N-(2,4,4-trimethylpentan-2-yl)butanamide (CID 17381763) is 3-methyl-N-(2,4,4-trimethylpentan-2-yl)butanamide.
What is the SMILES notation for 3-methyl-N-(2,4,4-trimethylpentan-2-yl)butanamide?
The canonical SMILES for 3-methyl-N-(2,4,4-trimethylpentan-2-yl)butanamide is CC(C)CC(=O)NC(C)(C)CC(C)(C)C.
What is the InChIKey of 3-methyl-N-(2,4,4-trimethylpentan-2-yl)butanamide?
The InChIKey is IUMVCUNVJXQNHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-10(2)8-11(15)14-13(6,7)9-12(3,4)5/h10H,8-9H2,1-7H3,(H,14,15).
What are the key properties of 3-methyl-N-(2,4,4-trimethylpentan-2-yl)butanamide?
3-methyl-N-(2,4,4-trimethylpentan-2-yl)butanamide has a molecular weight of 213.36 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2,4,4-trimethylpentan-2-yl)butanamide is sourced from PubChem (CID 17381763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).