5-methyl-3-N-propan-2-ylbenzene-1,3-dicarboxamide

C12H16N2O2 — CID 21084966

IUPAC5-methyl-3-N-propan-2-ylbenzene-1,3-dicarboxamide
SMILESCc1cc(C(N)=O)cc(C(=O)NC(C)C)c1
InChIInChI=1S/C12H16N2O2/c1-7(2)14-12(16)10-5-8(3)4-9(6-10)11(13)15/h4-7H,1-3H3,(H2,13,15)(H,14,16)
InChIKeySZABUUSNJLTREY-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.23
Rot. Bonds3

About 5-methyl-3-N-propan-2-ylbenzene-1,3-dicarboxamide

5-methyl-3-N-propan-2-ylbenzene-1,3-dicarboxamide (PubChem CID 21084966) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 5-methyl-3-N-propan-2-ylbenzene-1,3-dicarboxamide.

Molecular Properties

Compound Name5-methyl-3-N-propan-2-ylbenzene-1,3-dicarboxamide
PubChem CID21084966
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name5-methyl-3-N-propan-2-ylbenzene-1,3-dicarboxamide
SMILESCc1cc(C(N)=O)cc(C(=O)NC(C)C)c1
InChIInChI=1S/C12H16N2O2/c1-7(2)14-12(16)10-5-8(3)4-9(6-10)11(13)15/h4-7H,1-3H3,(H2,13,15)(H,14,16)
InChIKeySZABUUSNJLTREY-UHFFFAOYSA-N
XLogP1.23
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-methyl-3-N-(2-methylpropyl)benzene-1,3-dicarboxamide
CID 91187790
N-[(2S)-1-aminopropan-2-yl]-3,5-dimethylbenzamide;hydrochloride
CID 120509165
N,3,5-tri(propan-2-yl)benzamide
CID 168742850
3-hexyl-5-methyl-N-propan-2-ylbenzamide
CID 90950721
3-methyl-5-[2-(propan-2-ylamino)ethyl]benzamide
CID 143405963
3-N-[(2R)-3-methylbutan-2-yl]benzene-1,3-dicarboxamide
CID 30827773
3-(4-hydroxybut-1-ynyl)-5-methyl-N-propan-2-ylbenzamide
CID 115999769
3-methyl-N-[3-(propan-2-ylcarbamoyl)phenyl]benzamide
CID 17197365
ethyl 2-[(3-bromo-5-methylbenzoyl)amino]propanoate
CID 104852542
3,4,5-trifluoro-N-propan-2-ylbenzamide
CID 63187718
methyl (2R)-2-[(3-carbamoylbenzoyl)amino]propanoate
CID 113257904
N-(1-bromopropan-2-yl)-3,5-dimethylbenzamide
CID 114310754

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-N-propan-2-ylbenzene-1,3-dicarboxamide?
The IUPAC name of 5-methyl-3-N-propan-2-ylbenzene-1,3-dicarboxamide (CID 21084966) is 5-methyl-3-N-propan-2-ylbenzene-1,3-dicarboxamide.
What is the SMILES notation for 5-methyl-3-N-propan-2-ylbenzene-1,3-dicarboxamide?
The canonical SMILES for 5-methyl-3-N-propan-2-ylbenzene-1,3-dicarboxamide is Cc1cc(C(N)=O)cc(C(=O)NC(C)C)c1.
What is the InChIKey of 5-methyl-3-N-propan-2-ylbenzene-1,3-dicarboxamide?
The InChIKey is SZABUUSNJLTREY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-7(2)14-12(16)10-5-8(3)4-9(6-10)11(13)15/h4-7H,1-3H3,(H2,13,15)(H,14,16).
What are the key properties of 5-methyl-3-N-propan-2-ylbenzene-1,3-dicarboxamide?
5-methyl-3-N-propan-2-ylbenzene-1,3-dicarboxamide has a molecular weight of 220.27 g/mol, XLogP of 1.23, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-N-propan-2-ylbenzene-1,3-dicarboxamide is sourced from PubChem (CID 21084966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).