2,2-dimethyl-N-[(3R)-2,2,5,5-tetramethylhexan-3-yl]propanamide

C15H31NO — CID 59102613

IUPAC2,2-dimethyl-N-[(3R)-2,2,5,5-tetramethylhexan-3-yl]propanamide
SMILESCC(C)(C)C[C@@H](NC(=O)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C15H31NO/c1-13(2,3)10-11(14(4,5)6)16-12(17)15(7,8)9/h11H,10H2,1-9H3,(H,16,17)/t11-/m1/s1
InChIKeyPMCGXLIZXIIHPI-LLVKDONJSA-N
MW241.42 g/mol
LogP4.00
Rot. Bonds2

About 2,2-dimethyl-N-[(3R)-2,2,5,5-tetramethylhexan-3-yl]propanamide

2,2-dimethyl-N-[(3R)-2,2,5,5-tetramethylhexan-3-yl]propanamide (PubChem CID 59102613) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is 2,2-dimethyl-N-[(3R)-2,2,5,5-tetramethylhexan-3-yl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[(3R)-2,2,5,5-tetramethylhexan-3-yl]propanamide
PubChem CID59102613
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC Name2,2-dimethyl-N-[(3R)-2,2,5,5-tetramethylhexan-3-yl]propanamide
SMILESCC(C)(C)C[C@@H](NC(=O)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C15H31NO/c1-13(2,3)10-11(14(4,5)6)16-12(17)15(7,8)9/h11H,10H2,1-9H3,(H,16,17)/t11-/m1/s1
InChIKeyPMCGXLIZXIIHPI-LLVKDONJSA-N
XLogP4.00
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-Ethyl-2,2-diisopropylbutanamide
CID 3016598
N-butan-2-yl-3-methylbutanamide
CID 234387
Acetamide, N-(3-propyl-2-hexyl)-
CID 40203
N-cyclopentyl-2,2-dimethylpropanamide
CID 4611694
Butyramide, N-(4-heptyl)-
CID 38663
Propionamide, N-(1-methyl-2-propylpentyl)-
CID 3040306
n-(4-Methylpentan-2-yl)acetamide
CID 291448
N-cyclohexyl-3,3-dimethylbutanamide
CID 343763
N-cyclohexyl-2,2-dimethylpropanamide
CID 528629
Isobutyramide, N-(hept-2-yl)-
CID 4559546
N-cyclooctyl-3,3-dimethylbutanamide
CID 2948414
Butanamide, N-cyclohexyl-2,2-dimethyl-
CID 4473847

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[(3R)-2,2,5,5-tetramethylhexan-3-yl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[(3R)-2,2,5,5-tetramethylhexan-3-yl]propanamide (CID 59102613) is 2,2-dimethyl-N-[(3R)-2,2,5,5-tetramethylhexan-3-yl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[(3R)-2,2,5,5-tetramethylhexan-3-yl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[(3R)-2,2,5,5-tetramethylhexan-3-yl]propanamide is CC(C)(C)C[C@@H](NC(=O)C(C)(C)C)C(C)(C)C.
What is the InChIKey of 2,2-dimethyl-N-[(3R)-2,2,5,5-tetramethylhexan-3-yl]propanamide?
The InChIKey is PMCGXLIZXIIHPI-LLVKDONJSA-N. The full InChI is InChI=1S/C15H31NO/c1-13(2,3)10-11(14(4,5)6)16-12(17)15(7,8)9/h11H,10H2,1-9H3,(H,16,17)/t11-/m1/s1.
What are the key properties of 2,2-dimethyl-N-[(3R)-2,2,5,5-tetramethylhexan-3-yl]propanamide?
2,2-dimethyl-N-[(3R)-2,2,5,5-tetramethylhexan-3-yl]propanamide has a molecular weight of 241.42 g/mol, XLogP of 4.00, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[(3R)-2,2,5,5-tetramethylhexan-3-yl]propanamide is sourced from PubChem (CID 59102613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).