2,2-bis[2,6-di(propan-2-yl)phenyl]propanediamide

C27H38N2O2 — CID 142656757

IUPAC2,2-bis[2,6-di(propan-2-yl)phenyl]propanediamide
SMILESCC(C)c1cccc(C(C)C)c1C(C(N)=O)(C(N)=O)c1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C27H38N2O2/c1-15(2)19-11-9-12-20(16(3)4)23(19)27(25(28)30,26(29)31)24-21(17(5)6)13-10-14-22(24)18(7)8/h9-18H,1-8H3,(H2,28,30)(H2,29,31)
InChIKeyAYQLCULFFRPEIE-UHFFFAOYSA-N
MW422.61 g/mol
LogP5.44
Rot. Bonds8

About 2,2-bis[2,6-di(propan-2-yl)phenyl]propanediamide

2,2-bis[2,6-di(propan-2-yl)phenyl]propanediamide (PubChem CID 142656757) has the molecular formula C27H38N2O2 and a molecular weight of 422.61 g/mol. Its IUPAC name is 2,2-bis[2,6-di(propan-2-yl)phenyl]propanediamide.

Molecular Properties

Compound Name2,2-bis[2,6-di(propan-2-yl)phenyl]propanediamide
PubChem CID142656757
Molecular FormulaC27H38N2O2
Molecular Weight422.61 g/mol
Exact Mass422.29
IUPAC Name2,2-bis[2,6-di(propan-2-yl)phenyl]propanediamide
SMILESCC(C)c1cccc(C(C)C)c1C(C(N)=O)(C(N)=O)c1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C27H38N2O2/c1-15(2)19-11-9-12-20(16(3)4)23(19)27(25(28)30,26(29)31)24-21(17(5)6)13-10-14-22(24)18(7)8/h9-18H,1-8H3,(H2,28,30)(H2,29,31)
InChIKeyAYQLCULFFRPEIE-UHFFFAOYSA-N
XLogP5.44
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.61
LogP ≤ 55.44
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

carbamoylurea;2-methyl-1,3-di(propan-2-yl)benzene
CID 174706282
2-hydroxy-2-phenyl-2-(2-propan-2-ylphenyl)acetamide
CID 156632345
4-propan-2-yl-1-benzofuran-2-carboxamide
CID 155602033
2-(2-propan-2-ylphenyl)acetamide
CID 22163985
(2R)-2-[bis(1,1-dihydroxyethyl)amino]-2-[2,6-di(propan-2-yl)phenyl]acetamide
CID 97050456
1,2-bis(2-propan-2-ylphenyl)ethane-1,2-dione
CID 67945637
[2,6-di(propan-2-yl)benzoyl] 2,6-di(propan-2-yl)benzenecarboperoxoate
CID 141216683
1,3-bis[2,6-di(propan-2-yl)phenyl]urea
CID 12058189
1,2-di(propan-2-yl)benzene;3-propan-2-ylbenzamide
CID 170970604
2-phenoxy-2-(2-propan-2-ylphenyl)propanamide
CID 67172895
2,6-di(propan-2-yl)phenol;silver
CID 174803720
1-(2-hydroxy-6-propan-2-ylphenyl)ethanone
CID 130031479

Frequently Asked Questions

What is the IUPAC name of 2,2-bis[2,6-di(propan-2-yl)phenyl]propanediamide?
The IUPAC name of 2,2-bis[2,6-di(propan-2-yl)phenyl]propanediamide (CID 142656757) is 2,2-bis[2,6-di(propan-2-yl)phenyl]propanediamide.
What is the SMILES notation for 2,2-bis[2,6-di(propan-2-yl)phenyl]propanediamide?
The canonical SMILES for 2,2-bis[2,6-di(propan-2-yl)phenyl]propanediamide is CC(C)c1cccc(C(C)C)c1C(C(N)=O)(C(N)=O)c1c(C(C)C)cccc1C(C)C.
What is the InChIKey of 2,2-bis[2,6-di(propan-2-yl)phenyl]propanediamide?
The InChIKey is AYQLCULFFRPEIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H38N2O2/c1-15(2)19-11-9-12-20(16(3)4)23(19)27(25(28)30,26(29)31)24-21(17(5)6)13-10-14-22(24)18(7)8/h9-18H,1-8H3,(H2,28,30)(H2,29,31).
What are the key properties of 2,2-bis[2,6-di(propan-2-yl)phenyl]propanediamide?
2,2-bis[2,6-di(propan-2-yl)phenyl]propanediamide has a molecular weight of 422.61 g/mol, XLogP of 5.44, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis[2,6-di(propan-2-yl)phenyl]propanediamide is sourced from PubChem (CID 142656757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).