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

C18H28N2O2 — CID 786717

IUPAC1-N,2-N-bis[(2R)-3-methylbutan-2-yl]benzene-1,2-dicarboxamide
SMILESCC(C)[C@@H](C)NC(=O)c1ccccc1C(=O)N[C@H](C)C(C)C
InChIInChI=1S/C18H28N2O2/c1-11(2)13(5)19-17(21)15-9-7-8-10-16(15)18(22)20-14(6)12(3)4/h7-14H,1-6H3,(H,19,21)(H,20,22)/t13-,14-/m1/s1
InChIKeyVGUVXUUUMOBVAB-ZIAGYGMSSA-N
MW304.43 g/mol
LogP3.24
Rot. Bonds6

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

1-N,2-N-bis[(2R)-3-methylbutan-2-yl]benzene-1,2-dicarboxamide (PubChem CID 786717) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is 1-N,2-N-bis[(2R)-3-methylbutan-2-yl]benzene-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N,2-N-bis[(2R)-3-methylbutan-2-yl]benzene-1,2-dicarboxamide
PubChem CID786717
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name1-N,2-N-bis[(2R)-3-methylbutan-2-yl]benzene-1,2-dicarboxamide
SMILESCC(C)[C@@H](C)NC(=O)c1ccccc1C(=O)N[C@H](C)C(C)C
InChIInChI=1S/C18H28N2O2/c1-11(2)13(5)19-17(21)15-9-7-8-10-16(15)18(22)20-14(6)12(3)4/h7-14H,1-6H3,(H,19,21)(H,20,22)/t13-,14-/m1/s1
InChIKeyVGUVXUUUMOBVAB-ZIAGYGMSSA-N
XLogP3.24
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methoxy-N-[(2S)-3-methylbutan-2-yl]benzamide
CID 94867704
N-[(2R)-3-methylbutan-2-yl]-2-propan-2-yloxybenzamide
CID 100570232
3-hydroxy-2-methyl-N-(3-methylbutan-2-yl)benzamide
CID 82786626
N-(3-methylbutan-2-yl)-2-(trifluoromethoxy)benzamide
CID 164554378
2-[(2-bromobenzoyl)amino]-N-(3-methylbutan-2-yl)benzamide
CID 78791630
2,5-dibromo-1-N,4-N-bis(3-methylbutan-2-yl)benzene-1,4-dicarboxamide
CID 42908120
2-(3-aminoprop-1-ynyl)-N-(3-methylbutan-2-yl)benzamide
CID 54922361
2-(methylamino)-N-(3-methylbutan-2-yl)pyridine-3-carboxamide
CID 62167336
3-methoxy-N-(3-methylbutan-2-yl)naphthalene-2-carboxamide
CID 133250038
1-N,2-N-bis[(2R)-1-hydroxypropan-2-yl]benzene-1,2-dicarboxamide
CID 786729
2,4-dimethyl-N-[(2R)-3-methylbutan-2-yl]benzamide
CID 94665510
4-chloro-N-(3-methylbutan-2-yl)benzamide
CID 4263927

Frequently Asked Questions

What is the IUPAC name of 1-N,2-N-bis[(2R)-3-methylbutan-2-yl]benzene-1,2-dicarboxamide?
The IUPAC name of 1-N,2-N-bis[(2R)-3-methylbutan-2-yl]benzene-1,2-dicarboxamide (CID 786717) is 1-N,2-N-bis[(2R)-3-methylbutan-2-yl]benzene-1,2-dicarboxamide.
What is the SMILES notation for 1-N,2-N-bis[(2R)-3-methylbutan-2-yl]benzene-1,2-dicarboxamide?
The canonical SMILES for 1-N,2-N-bis[(2R)-3-methylbutan-2-yl]benzene-1,2-dicarboxamide is CC(C)[C@@H](C)NC(=O)c1ccccc1C(=O)N[C@H](C)C(C)C.
What is the InChIKey of 1-N,2-N-bis[(2R)-3-methylbutan-2-yl]benzene-1,2-dicarboxamide?
The InChIKey is VGUVXUUUMOBVAB-ZIAGYGMSSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-11(2)13(5)19-17(21)15-9-7-8-10-16(15)18(22)20-14(6)12(3)4/h7-14H,1-6H3,(H,19,21)(H,20,22)/t13-,14-/m1/s1.
What are the key properties of 1-N,2-N-bis[(2R)-3-methylbutan-2-yl]benzene-1,2-dicarboxamide?
1-N,2-N-bis[(2R)-3-methylbutan-2-yl]benzene-1,2-dicarboxamide has a molecular weight of 304.43 g/mol, XLogP of 3.24, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2-N-bis[(2R)-3-methylbutan-2-yl]benzene-1,2-dicarboxamide is sourced from PubChem (CID 786717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).