2,4-dimethyl-N-[(2R)-3-methylbutan-2-yl]benzamide

C14H21NO — CID 94665510

IUPAC2,4-dimethyl-N-[(2R)-3-methylbutan-2-yl]benzamide
SMILESCc1ccc(C(=O)N[C@H](C)C(C)C)c(C)c1
InChIInChI=1S/C14H21NO/c1-9(2)12(5)15-14(16)13-7-6-10(3)8-11(13)4/h6-9,12H,1-5H3,(H,15,16)/t12-/m1/s1
InChIKeyXEKWSXLLPJOHJN-GFCCVEGCSA-N
MW219.33 g/mol
LogP3.08
Rot. Bonds3

About 2,4-dimethyl-N-[(2R)-3-methylbutan-2-yl]benzamide

2,4-dimethyl-N-[(2R)-3-methylbutan-2-yl]benzamide (PubChem CID 94665510) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 2,4-dimethyl-N-[(2R)-3-methylbutan-2-yl]benzamide.

Molecular Properties

Compound Name2,4-dimethyl-N-[(2R)-3-methylbutan-2-yl]benzamide
PubChem CID94665510
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name2,4-dimethyl-N-[(2R)-3-methylbutan-2-yl]benzamide
SMILESCc1ccc(C(=O)N[C@H](C)C(C)C)c(C)c1
InChIInChI=1S/C14H21NO/c1-9(2)12(5)15-14(16)13-7-6-10(3)8-11(13)4/h6-9,12H,1-5H3,(H,15,16)/t12-/m1/s1
InChIKeyXEKWSXLLPJOHJN-GFCCVEGCSA-N
XLogP3.08
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,4,5-trimethyl-N-(3-methylbutan-2-yl)benzamide
CID 133250246
2-hydroxy-5-methyl-N-(3-methylbutan-2-yl)benzamide
CID 43084907
N-(1-chloro-4-methylpentan-3-yl)-2,4-dimethylbenzamide
CID 114177660
1-N,2-N-bis[(2R)-3-methylbutan-2-yl]benzene-1,2-dicarboxamide
CID 786717
N-[1-(1-adamantyl)ethyl]-2,4-dimethylbenzamide
CID 3647377
2,4-dimethyl-N-(1-naphthalen-2-ylethyl)benzamide
CID 43011349
N-[1-[4-(aminomethyl)phenyl]ethyl]-2,4-dimethylbenzamide
CID 60919316
2,4-dimethyl-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 94789301
2,5-dibromo-1-N,4-N-bis(3-methylbutan-2-yl)benzene-1,4-dicarboxamide
CID 42908120
2,4-dimethyl-N-[(2S)-1-phenoxypropan-2-yl]benzamide
CID 94625096
5-methyl-N-(3-methylbutan-2-yl)-2-(propylamino)benzamide
CID 55083225
N-(1-amino-1-sulfanylidenebutan-2-yl)-2,4-dimethylbenzamide
CID 61120496

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[(2R)-3-methylbutan-2-yl]benzamide?
The IUPAC name of 2,4-dimethyl-N-[(2R)-3-methylbutan-2-yl]benzamide (CID 94665510) is 2,4-dimethyl-N-[(2R)-3-methylbutan-2-yl]benzamide.
What is the SMILES notation for 2,4-dimethyl-N-[(2R)-3-methylbutan-2-yl]benzamide?
The canonical SMILES for 2,4-dimethyl-N-[(2R)-3-methylbutan-2-yl]benzamide is Cc1ccc(C(=O)N[C@H](C)C(C)C)c(C)c1.
What is the InChIKey of 2,4-dimethyl-N-[(2R)-3-methylbutan-2-yl]benzamide?
The InChIKey is XEKWSXLLPJOHJN-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H21NO/c1-9(2)12(5)15-14(16)13-7-6-10(3)8-11(13)4/h6-9,12H,1-5H3,(H,15,16)/t12-/m1/s1.
What are the key properties of 2,4-dimethyl-N-[(2R)-3-methylbutan-2-yl]benzamide?
2,4-dimethyl-N-[(2R)-3-methylbutan-2-yl]benzamide has a molecular weight of 219.33 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-[(2R)-3-methylbutan-2-yl]benzamide is sourced from PubChem (CID 94665510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).