2,2-bis(4-methylphenyl)propanediamide

C17H18N2O2 — CID 174721937

IUPAC2,2-bis(4-methylphenyl)propanediamide
SMILESCc1ccc(C(C(N)=O)(C(N)=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C17H18N2O2/c1-11-3-7-13(8-4-11)17(15(18)20,16(19)21)14-9-5-12(2)6-10-14/h3-10H,1-2H3,(H2,18,20)(H2,19,21)
InChIKeyCGIQPPYCTOBLQL-UHFFFAOYSA-N
MW282.34 g/mol
LogP1.56
Rot. Bonds4

About 2,2-bis(4-methylphenyl)propanediamide

2,2-bis(4-methylphenyl)propanediamide (PubChem CID 174721937) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 2,2-bis(4-methylphenyl)propanediamide.

Molecular Properties

Compound Name2,2-bis(4-methylphenyl)propanediamide
PubChem CID174721937
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name2,2-bis(4-methylphenyl)propanediamide
SMILESCc1ccc(C(C(N)=O)(C(N)=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C17H18N2O2/c1-11-3-7-13(8-4-11)17(15(18)20,16(19)21)14-9-5-12(2)6-10-14/h3-10H,1-2H3,(H2,18,20)(H2,19,21)
InChIKeyCGIQPPYCTOBLQL-UHFFFAOYSA-N
XLogP1.56
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2,3-dihydroxy-2,3-bis(4-methylphenyl)butanediamide
CID 141074859
2-(2-methylphenyl)-2,2-bis(4-methylphenyl)acetamide
CID 20684858
2-amino-2-[4-[1,2-diamino-1-(4-methylphenyl)sulfonyl-2-oxoethyl]phenyl]-2-(4-methylphenyl)sulfonylacetamide
CID 67643685
2-methyl-2-(4-methylphenyl)propanedioic acid
CID 67424515
carbonic acid;1,4-xylene
CID 89415214
3,3-difluoro-3-[4-(4-methylphenyl)phenyl]propanamide
CID 142387183
methyl 2-amino-3,3-difluoro-2-(4-methylphenyl)propanoate
CID 105486345
2-(4-methylphenyl)-2-(propan-2-ylamino)butanamide
CID 60787687
2-(4-methoxyphenyl)-2-(4-methylphenyl)-2-phenylacetamide
CID 121405860
1-(2-acetylphenyl)ethanone;1-tert-butyl-4-methylbenzene
CID 143426148
3-hydroxy-3-(4-methylphenyl)butan-2-one
CID 121217070
(2R)-2-hydroxy-2-(4-methylphenyl)propanoic acid
CID 21123439

Frequently Asked Questions

What is the IUPAC name of 2,2-bis(4-methylphenyl)propanediamide?
The IUPAC name of 2,2-bis(4-methylphenyl)propanediamide (CID 174721937) is 2,2-bis(4-methylphenyl)propanediamide.
What is the SMILES notation for 2,2-bis(4-methylphenyl)propanediamide?
The canonical SMILES for 2,2-bis(4-methylphenyl)propanediamide is Cc1ccc(C(C(N)=O)(C(N)=O)c2ccc(C)cc2)cc1.
What is the InChIKey of 2,2-bis(4-methylphenyl)propanediamide?
The InChIKey is CGIQPPYCTOBLQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-11-3-7-13(8-4-11)17(15(18)20,16(19)21)14-9-5-12(2)6-10-14/h3-10H,1-2H3,(H2,18,20)(H2,19,21).
What are the key properties of 2,2-bis(4-methylphenyl)propanediamide?
2,2-bis(4-methylphenyl)propanediamide has a molecular weight of 282.34 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 2,2-bis(4-methylphenyl)propanediamide is sourced from PubChem (CID 174721937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).