2,3-dimethyl-N-pentan-2-ylbenzamide

C14H21NO — CID 71253299

IUPAC2,3-dimethyl-N-pentan-2-ylbenzamide
SMILESCCCC(C)NC(=O)c1cccc(C)c1C
InChIInChI=1S/C14H21NO/c1-5-7-11(3)15-14(16)13-9-6-8-10(2)12(13)4/h6,8-9,11H,5,7H2,1-4H3,(H,15,16)
InChIKeyPSRAPQHWSIOPTR-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.22
Rot. Bonds4

About 2,3-dimethyl-N-pentan-2-ylbenzamide

2,3-dimethyl-N-pentan-2-ylbenzamide (PubChem CID 71253299) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 2,3-dimethyl-N-pentan-2-ylbenzamide.

Molecular Properties

Compound Name2,3-dimethyl-N-pentan-2-ylbenzamide
PubChem CID71253299
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name2,3-dimethyl-N-pentan-2-ylbenzamide
SMILESCCCC(C)NC(=O)c1cccc(C)c1C
InChIInChI=1S/C14H21NO/c1-5-7-11(3)15-14(16)13-9-6-8-10(2)12(13)4/h6,8-9,11H,5,7H2,1-4H3,(H,15,16)
InChIKeyPSRAPQHWSIOPTR-UHFFFAOYSA-N
XLogP3.22
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(1-chloropropan-2-yl)-2,3-dimethylbenzamide
CID 114299454
N-(1-aminopropan-2-yl)-2,3-dimethylbenzamide
CID 63731328
2-methyl-3-nitro-N-[(2S)-pentan-2-yl]benzamide
CID 879627
N-(4-amino-4-hydroxyiminobutan-2-yl)-2,3-dimethylbenzamide
CID 76934608
2-fluoro-3-methyl-N-octan-2-ylbenzamide
CID 81480572
N-butan-2-yl-2-hydroxy-3-methylbenzamide
CID 43176510
N-but-3-yn-2-yl-2,3-dimethylbenzamide
CID 114389941
N-(1-cyanoethyl)-2,3-dimethylbenzamide
CID 61121435
3-hydroxy-N-(4-hydroxybutan-2-yl)-2-methylbenzamide
CID 82839881
(2R)-2-[(2,3-dimethylbenzoyl)amino]-4-hydroxybutanoic acid
CID 107823072
2,3-dimethylbenzohydrazide
CID 16790549
3-fluoro-2-(methylamino)-N-pentan-2-ylbenzamide
CID 55101629

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-pentan-2-ylbenzamide?
The IUPAC name of 2,3-dimethyl-N-pentan-2-ylbenzamide (CID 71253299) is 2,3-dimethyl-N-pentan-2-ylbenzamide.
What is the SMILES notation for 2,3-dimethyl-N-pentan-2-ylbenzamide?
The canonical SMILES for 2,3-dimethyl-N-pentan-2-ylbenzamide is CCCC(C)NC(=O)c1cccc(C)c1C.
What is the InChIKey of 2,3-dimethyl-N-pentan-2-ylbenzamide?
The InChIKey is PSRAPQHWSIOPTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-5-7-11(3)15-14(16)13-9-6-8-10(2)12(13)4/h6,8-9,11H,5,7H2,1-4H3,(H,15,16).
What are the key properties of 2,3-dimethyl-N-pentan-2-ylbenzamide?
2,3-dimethyl-N-pentan-2-ylbenzamide has a molecular weight of 219.33 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-pentan-2-ylbenzamide is sourced from PubChem (CID 71253299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).