N-[(2S)-butan-2-yl]-2,5-dimethylbenzamide

C13H19NO — CID 925430

IUPACN-[(2S)-butan-2-yl]-2,5-dimethylbenzamide
SMILESCC[C@H](C)NC(=O)c1cc(C)ccc1C
InChIInChI=1S/C13H19NO/c1-5-11(4)14-13(15)12-8-9(2)6-7-10(12)3/h6-8,11H,5H2,1-4H3,(H,14,15)/t11-/m0/s1
InChIKeyDVDUWQXQKKZIAS-NSHDSACASA-N
MW205.30 g/mol
LogP2.83
Rot. Bonds3

About N-[(2S)-butan-2-yl]-2,5-dimethylbenzamide

N-[(2S)-butan-2-yl]-2,5-dimethylbenzamide (PubChem CID 925430) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is N-[(2S)-butan-2-yl]-2,5-dimethylbenzamide.

Molecular Properties

Compound NameN-[(2S)-butan-2-yl]-2,5-dimethylbenzamide
PubChem CID925430
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC NameN-[(2S)-butan-2-yl]-2,5-dimethylbenzamide
SMILESCC[C@H](C)NC(=O)c1cc(C)ccc1C
InChIInChI=1S/C13H19NO/c1-5-11(4)14-13(15)12-8-9(2)6-7-10(12)3/h6-8,11H,5H2,1-4H3,(H,14,15)/t11-/m0/s1
InChIKeyDVDUWQXQKKZIAS-NSHDSACASA-N
XLogP2.83
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(4-bromobutan-2-yl)-2,5-dimethylbenzamide
CID 83179546
2,5-dimethyl-N-(3-oxopentan-2-yl)benzamide
CID 64997381
N-butan-2-yl-2-methyl-5-(methylsulfamoyl)benzamide
CID 42940283
[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 2,5-dimethylbenzoate
CID 2519664
N-butan-2-yl-5-(3-hydroxyprop-1-ynyl)-2-methylbenzamide
CID 65311364
2,5-dimethyl-N-[(2R)-1-phenoxypropan-2-yl]benzamide
CID 94625056
N-[1-(3,4-dimethylphenoxy)propan-2-yl]-2,5-dimethylbenzamide
CID 133163829
N-(1-bromo-4-methylpentan-2-yl)-2,5-dimethylbenzamide
CID 113274960
2,5-dimethyl-N-[(2S)-1-(2-methylphenoxy)propan-2-yl]benzamide
CID 100614435
N-[2-[[(2R)-butan-2-yl]carbamoyl]phenyl]-2,4-dimethylbenzamide
CID 34734992
2,5-dimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 9299876
N-[1-(2-methoxyphenoxy)propan-2-yl]-2,5-dimethylbenzamide
CID 133162576

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-butan-2-yl]-2,5-dimethylbenzamide?
The IUPAC name of N-[(2S)-butan-2-yl]-2,5-dimethylbenzamide (CID 925430) is N-[(2S)-butan-2-yl]-2,5-dimethylbenzamide.
What is the SMILES notation for N-[(2S)-butan-2-yl]-2,5-dimethylbenzamide?
The canonical SMILES for N-[(2S)-butan-2-yl]-2,5-dimethylbenzamide is CC[C@H](C)NC(=O)c1cc(C)ccc1C.
What is the InChIKey of N-[(2S)-butan-2-yl]-2,5-dimethylbenzamide?
The InChIKey is DVDUWQXQKKZIAS-NSHDSACASA-N. The full InChI is InChI=1S/C13H19NO/c1-5-11(4)14-13(15)12-8-9(2)6-7-10(12)3/h6-8,11H,5H2,1-4H3,(H,14,15)/t11-/m0/s1.
What are the key properties of N-[(2S)-butan-2-yl]-2,5-dimethylbenzamide?
N-[(2S)-butan-2-yl]-2,5-dimethylbenzamide has a molecular weight of 205.30 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-butan-2-yl]-2,5-dimethylbenzamide is sourced from PubChem (CID 925430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).