N-[(2R)-butan-2-yl]-2,3,4,5,6-pentamethylbenzamide

C16H25NO — CID 95358520

IUPACN-[(2R)-butan-2-yl]-2,3,4,5,6-pentamethylbenzamide
SMILESCC[C@@H](C)NC(=O)c1c(C)c(C)c(C)c(C)c1C
InChIInChI=1S/C16H25NO/c1-8-9(2)17-16(18)15-13(6)11(4)10(3)12(5)14(15)7/h9H,8H2,1-7H3,(H,17,18)/t9-/m1/s1
InChIKeyJMCKJZYRFDWWQY-SECBINFHSA-N
MW247.38 g/mol
LogP3.76
Rot. Bonds3

About N-[(2R)-butan-2-yl]-2,3,4,5,6-pentamethylbenzamide

N-[(2R)-butan-2-yl]-2,3,4,5,6-pentamethylbenzamide (PubChem CID 95358520) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is N-[(2R)-butan-2-yl]-2,3,4,5,6-pentamethylbenzamide.

Molecular Properties

Compound NameN-[(2R)-butan-2-yl]-2,3,4,5,6-pentamethylbenzamide
PubChem CID95358520
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC NameN-[(2R)-butan-2-yl]-2,3,4,5,6-pentamethylbenzamide
SMILESCC[C@@H](C)NC(=O)c1c(C)c(C)c(C)c(C)c1C
InChIInChI=1S/C16H25NO/c1-8-9(2)17-16(18)15-13(6)11(4)10(3)12(5)14(15)7/h9H,8H2,1-7H3,(H,17,18)/t9-/m1/s1
InChIKeyJMCKJZYRFDWWQY-SECBINFHSA-N
XLogP3.76
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-butan-2-yl-1,5-dimethylpyrrole-2-carboxamide
CID 42930410
N-butan-2-yl-2,4,6-trimethoxybenzamide
CID 110764612
[1-[3-(butan-2-ylcarbamoyl)-5-(1,3-dihydroxypropan-2-ylcarbamoyl)-2,4,6-trimethylanilino]-1-oxopropan-2-yl] acetate
CID 176560336
N-butan-2-yl-2-oxo-2-(2,3,5,6-tetramethylphenyl)acetamide
CID 82121773
N-butan-2-yl-2,5-dimethyl-1H-pyrrole-3-carboxamide
CID 110766106
N-[(2R)-butan-2-yl]-3-methyl-1,2,4-thiadiazole-5-carboxamide
CID 97415060
N-butan-2-yl-2-hydroxy-3-methylbenzamide
CID 43176510
N-[(2S)-butan-2-yl]-2,5-dimethylbenzamide
CID 925430
N-[(2S)-butan-2-yl]-2-methylfuran-3-carboxamide
CID 40584922
4-amino-N-butan-2-ylbenzamide
CID 3503917
N-[(2R)-butan-2-yl]-2-methylbutanamide
CID 88542995
N-butan-2-ylcarbamoyl iodide
CID 118554163

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-butan-2-yl]-2,3,4,5,6-pentamethylbenzamide?
The IUPAC name of N-[(2R)-butan-2-yl]-2,3,4,5,6-pentamethylbenzamide (CID 95358520) is N-[(2R)-butan-2-yl]-2,3,4,5,6-pentamethylbenzamide.
What is the SMILES notation for N-[(2R)-butan-2-yl]-2,3,4,5,6-pentamethylbenzamide?
The canonical SMILES for N-[(2R)-butan-2-yl]-2,3,4,5,6-pentamethylbenzamide is CC[C@@H](C)NC(=O)c1c(C)c(C)c(C)c(C)c1C.
What is the InChIKey of N-[(2R)-butan-2-yl]-2,3,4,5,6-pentamethylbenzamide?
The InChIKey is JMCKJZYRFDWWQY-SECBINFHSA-N. The full InChI is InChI=1S/C16H25NO/c1-8-9(2)17-16(18)15-13(6)11(4)10(3)12(5)14(15)7/h9H,8H2,1-7H3,(H,17,18)/t9-/m1/s1.
What are the key properties of N-[(2R)-butan-2-yl]-2,3,4,5,6-pentamethylbenzamide?
N-[(2R)-butan-2-yl]-2,3,4,5,6-pentamethylbenzamide has a molecular weight of 247.38 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-butan-2-yl]-2,3,4,5,6-pentamethylbenzamide is sourced from PubChem (CID 95358520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).