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

C12H17N3O2 — CID 140538473

IUPAC2-[[(2R)-butan-2-yl]amino]benzene-1,4-dicarboxamide
SMILESCC[C@@H](C)Nc1cc(C(N)=O)ccc1C(N)=O
InChIInChI=1S/C12H17N3O2/c1-3-7(2)15-10-6-8(11(13)16)4-5-9(10)12(14)17/h4-7,15H,3H2,1-2H3,(H2,13,16)(H2,14,17)/t7-/m1/s1
InChIKeyWTZNYILYRCSNCT-SSDOTTSWSA-N
MW235.29 g/mol
LogP1.09
Rot. Bonds5

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

2-[[(2R)-butan-2-yl]amino]benzene-1,4-dicarboxamide (PubChem CID 140538473) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 2-[[(2R)-butan-2-yl]amino]benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name2-[[(2R)-butan-2-yl]amino]benzene-1,4-dicarboxamide
PubChem CID140538473
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name2-[[(2R)-butan-2-yl]amino]benzene-1,4-dicarboxamide
SMILESCC[C@@H](C)Nc1cc(C(N)=O)ccc1C(N)=O
InChIInChI=1S/C12H17N3O2/c1-3-7(2)15-10-6-8(11(13)16)4-5-9(10)12(14)17/h4-7,15H,3H2,1-2H3,(H2,13,16)(H2,14,17)/t7-/m1/s1
InChIKeyWTZNYILYRCSNCT-SSDOTTSWSA-N
XLogP1.09
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[[(2R)-butan-2-yl]amino]benzene-1,4-dicarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[(2R)-3-methylbutan-2-yl]amino]benzene-1,4-dicarboxamide
CID 70906211
5-amino-2-(butan-2-ylamino)benzamide
CID 61311336
4-amino-3-(butan-2-ylamino)-N,N-dimethylbenzamide
CID 63361212
2-[[(2R)-butan-2-yl]amino]-3-methylbenzene-1,4-dicarboxamide
CID 140538451
4-(butan-2-ylamino)-2-chlorobenzamide
CID 43736488
2-(butan-2-ylamino)pyridine-4-carboxamide
CID 131204108
5-amino-2-(butan-2-ylamino)benzoic acid
CID 60988794
2-(1-aminopropan-2-ylamino)benzamide
CID 63733598
2-(butan-2-ylamino)benzenecarbothioamide
CID 43199919
4-N-[(1R,5S)-8-(5-acetyl-2-pyridinyl)-8-azabicyclo[3.2.1]octan-3-yl]-2-(butan-2-ylamino)benzene-1,4-dicarboxamide
CID 67404054
2-(butan-2-ylamino)benzoic acid
CID 19609454
4-nitro-3-(pentan-2-ylamino)benzamide
CID 82995572

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-butan-2-yl]amino]benzene-1,4-dicarboxamide?
The IUPAC name of 2-[[(2R)-butan-2-yl]amino]benzene-1,4-dicarboxamide (CID 140538473) is 2-[[(2R)-butan-2-yl]amino]benzene-1,4-dicarboxamide.
What is the SMILES notation for 2-[[(2R)-butan-2-yl]amino]benzene-1,4-dicarboxamide?
The canonical SMILES for 2-[[(2R)-butan-2-yl]amino]benzene-1,4-dicarboxamide is CC[C@@H](C)Nc1cc(C(N)=O)ccc1C(N)=O.
What is the InChIKey of 2-[[(2R)-butan-2-yl]amino]benzene-1,4-dicarboxamide?
The InChIKey is WTZNYILYRCSNCT-SSDOTTSWSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-3-7(2)15-10-6-8(11(13)16)4-5-9(10)12(14)17/h4-7,15H,3H2,1-2H3,(H2,13,16)(H2,14,17)/t7-/m1/s1.
What are the key properties of 2-[[(2R)-butan-2-yl]amino]benzene-1,4-dicarboxamide?
2-[[(2R)-butan-2-yl]amino]benzene-1,4-dicarboxamide has a molecular weight of 235.29 g/mol, XLogP of 1.09, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-butan-2-yl]amino]benzene-1,4-dicarboxamide is sourced from PubChem (CID 140538473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).