2-[[(2R)-3-methylbutan-2-yl]amino]benzene-1,4-dicarboxamide

C13H19N3O2 — CID 70906211

IUPAC2-[[(2R)-3-methylbutan-2-yl]amino]benzene-1,4-dicarboxamide
SMILESCC(C)[C@@H](C)Nc1cc(C(N)=O)ccc1C(N)=O
InChIInChI=1S/C13H19N3O2/c1-7(2)8(3)16-11-6-9(12(14)17)4-5-10(11)13(15)18/h4-8,16H,1-3H3,(H2,14,17)(H2,15,18)/t8-/m1/s1
InChIKeyHBXVDOSDDGPNKF-MRVPVSSYSA-N
MW249.31 g/mol
LogP1.34
Rot. Bonds5

About 2-[[(2R)-3-methylbutan-2-yl]amino]benzene-1,4-dicarboxamide

2-[[(2R)-3-methylbutan-2-yl]amino]benzene-1,4-dicarboxamide (PubChem CID 70906211) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-[[(2R)-3-methylbutan-2-yl]amino]benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name2-[[(2R)-3-methylbutan-2-yl]amino]benzene-1,4-dicarboxamide
PubChem CID70906211
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name2-[[(2R)-3-methylbutan-2-yl]amino]benzene-1,4-dicarboxamide
SMILESCC(C)[C@@H](C)Nc1cc(C(N)=O)ccc1C(N)=O
InChIInChI=1S/C13H19N3O2/c1-7(2)8(3)16-11-6-9(12(14)17)4-5-10(11)13(15)18/h4-8,16H,1-3H3,(H2,14,17)(H2,15,18)/t8-/m1/s1
InChIKeyHBXVDOSDDGPNKF-MRVPVSSYSA-N
XLogP1.34
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-3-(3-methylbutan-2-ylamino)benzamide
CID 43701145
2-[[(2R)-butan-2-yl]amino]benzene-1,4-dicarboxamide
CID 140538473
3-(1,1-difluoropropan-2-ylamino)-4-fluorobenzamide
CID 102868551
4-amino-3-(propan-2-ylamino)benzamide
CID 63355740
4-methoxy-3-(propan-2-ylamino)benzamide
CID 43735396
4-methyl-2-(3-methylbutan-2-ylamino)benzoic acid
CID 62710762
4-chloro-3-(3-methoxybutan-2-ylamino)benzamide
CID 113481639
4-amino-2-(3,3-dimethylbutan-2-ylamino)benzamide
CID 113457683
3-[[2-(aminomethyl)-3-methylbutyl]amino]-4-fluorobenzamide
CID 107441566
2-(2-methylsulfonylethylamino)benzene-1,4-dicarboxamide
CID 67418978
methyl 2-(5-carbamoyl-2-fluoroanilino)propanoate
CID 66172503
3-amino-4-(3,3-dimethylbutan-2-ylamino)benzamide
CID 104827416

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-3-methylbutan-2-yl]amino]benzene-1,4-dicarboxamide?
The IUPAC name of 2-[[(2R)-3-methylbutan-2-yl]amino]benzene-1,4-dicarboxamide (CID 70906211) is 2-[[(2R)-3-methylbutan-2-yl]amino]benzene-1,4-dicarboxamide.
What is the SMILES notation for 2-[[(2R)-3-methylbutan-2-yl]amino]benzene-1,4-dicarboxamide?
The canonical SMILES for 2-[[(2R)-3-methylbutan-2-yl]amino]benzene-1,4-dicarboxamide is CC(C)[C@@H](C)Nc1cc(C(N)=O)ccc1C(N)=O.
What is the InChIKey of 2-[[(2R)-3-methylbutan-2-yl]amino]benzene-1,4-dicarboxamide?
The InChIKey is HBXVDOSDDGPNKF-MRVPVSSYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-7(2)8(3)16-11-6-9(12(14)17)4-5-10(11)13(15)18/h4-8,16H,1-3H3,(H2,14,17)(H2,15,18)/t8-/m1/s1.
What are the key properties of 2-[[(2R)-3-methylbutan-2-yl]amino]benzene-1,4-dicarboxamide?
2-[[(2R)-3-methylbutan-2-yl]amino]benzene-1,4-dicarboxamide has a molecular weight of 249.31 g/mol, XLogP of 1.34, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-3-methylbutan-2-yl]amino]benzene-1,4-dicarboxamide is sourced from PubChem (CID 70906211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).