3-N-[(2R)-3-methylbutan-2-yl]benzene-1,3-dicarboxamide

C13H18N2O2 — CID 30827773

IUPAC3-N-[(2R)-3-methylbutan-2-yl]benzene-1,3-dicarboxamide
SMILESCC(C)[C@@H](C)NC(=O)c1cccc(C(N)=O)c1
InChIInChI=1S/C13H18N2O2/c1-8(2)9(3)15-13(17)11-6-4-5-10(7-11)12(14)16/h4-9H,1-3H3,(H2,14,16)(H,15,17)/t9-/m1/s1
InChIKeyAFOBJIGDVJWUMB-SECBINFHSA-N
MW234.30 g/mol
LogP1.56
Rot. Bonds4

About 3-N-[(2R)-3-methylbutan-2-yl]benzene-1,3-dicarboxamide

3-N-[(2R)-3-methylbutan-2-yl]benzene-1,3-dicarboxamide (PubChem CID 30827773) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 3-N-[(2R)-3-methylbutan-2-yl]benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-[(2R)-3-methylbutan-2-yl]benzene-1,3-dicarboxamide
PubChem CID30827773
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name3-N-[(2R)-3-methylbutan-2-yl]benzene-1,3-dicarboxamide
SMILESCC(C)[C@@H](C)NC(=O)c1cccc(C(N)=O)c1
InChIInChI=1S/C13H18N2O2/c1-8(2)9(3)15-13(17)11-6-4-5-10(7-11)12(14)16/h4-9H,1-3H3,(H2,14,16)(H,15,17)/t9-/m1/s1
InChIKeyAFOBJIGDVJWUMB-SECBINFHSA-N
XLogP1.56
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-N-(3-methylbutan-2-yl)benzamide
CID 18712138
3-methyl-N-[(2S)-3-methylbutan-2-yl]benzamide
CID 94665537
2-[(3-carbamoylbenzoyl)amino]-3-methylbutanoic acid
CID 60859011
methyl (2R)-2-[(3-carbamoylbenzoyl)amino]propanoate
CID 113257904
3-N-(1-amino-3-methylbutan-2-yl)benzene-1,3-dicarboxamide
CID 65191392
2-[(3-carbamoylbenzoyl)amino]-3-methylpentanoic acid
CID 60858023
3-(methanesulfonamido)-N-(3-methylbutan-2-yl)benzamide
CID 43016598
3-cyano-N-[(2R)-3-methylbutan-2-yl]benzamide
CID 28831529
(2R)-2-[(3-carbamoylbenzoyl)amino]-4-methylpentanoic acid
CID 78975452
3-N-(1-aminobutan-2-yl)benzene-1,3-dicarboxamide
CID 65193984
3-N-(1-amino-4-methylpentan-2-yl)benzene-1,3-dicarboxamide;hydrochloride
CID 119587745
3-N-(1-aminohexan-2-yl)benzene-1,3-dicarboxamide;hydrochloride
CID 119667555

Frequently Asked Questions

What is the IUPAC name of 3-N-[(2R)-3-methylbutan-2-yl]benzene-1,3-dicarboxamide?
The IUPAC name of 3-N-[(2R)-3-methylbutan-2-yl]benzene-1,3-dicarboxamide (CID 30827773) is 3-N-[(2R)-3-methylbutan-2-yl]benzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-[(2R)-3-methylbutan-2-yl]benzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-[(2R)-3-methylbutan-2-yl]benzene-1,3-dicarboxamide is CC(C)[C@@H](C)NC(=O)c1cccc(C(N)=O)c1.
What is the InChIKey of 3-N-[(2R)-3-methylbutan-2-yl]benzene-1,3-dicarboxamide?
The InChIKey is AFOBJIGDVJWUMB-SECBINFHSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-8(2)9(3)15-13(17)11-6-4-5-10(7-11)12(14)16/h4-9H,1-3H3,(H2,14,16)(H,15,17)/t9-/m1/s1.
What are the key properties of 3-N-[(2R)-3-methylbutan-2-yl]benzene-1,3-dicarboxamide?
3-N-[(2R)-3-methylbutan-2-yl]benzene-1,3-dicarboxamide has a molecular weight of 234.30 g/mol, XLogP of 1.56, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[(2R)-3-methylbutan-2-yl]benzene-1,3-dicarboxamide is sourced from PubChem (CID 30827773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).