N,3-bis(5-tert-butyl-2-methylphenyl)-2-oxopropanamide

C25H33NO2 — CID 159844631

IUPACN,3-bis(5-tert-butyl-2-methylphenyl)-2-oxopropanamide
SMILESCc1ccc(C(C)(C)C)cc1CC(=O)C(=O)Nc1cc(C(C)(C)C)ccc1C
InChIInChI=1S/C25H33NO2/c1-16-9-11-19(24(3,4)5)13-18(16)14-22(27)23(28)26-21-15-20(25(6,7)8)12-10-17(21)2/h9-13,15H,14H2,1-8H3,(H,26,28)
InChIKeyUDNDAMUDLOBLQN-UHFFFAOYSA-N
MW379.54 g/mol
LogP5.65
Rot. Bonds4

About N,3-bis(5-tert-butyl-2-methylphenyl)-2-oxopropanamide

N,3-bis(5-tert-butyl-2-methylphenyl)-2-oxopropanamide (PubChem CID 159844631) has the molecular formula C25H33NO2 and a molecular weight of 379.54 g/mol. Its IUPAC name is N,3-bis(5-tert-butyl-2-methylphenyl)-2-oxopropanamide.

Molecular Properties

Compound NameN,3-bis(5-tert-butyl-2-methylphenyl)-2-oxopropanamide
PubChem CID159844631
Molecular FormulaC25H33NO2
Molecular Weight379.54 g/mol
Exact Mass379.25
IUPAC NameN,3-bis(5-tert-butyl-2-methylphenyl)-2-oxopropanamide
SMILESCc1ccc(C(C)(C)C)cc1CC(=O)C(=O)Nc1cc(C(C)(C)C)ccc1C
InChIInChI=1S/C25H33NO2/c1-16-9-11-19(24(3,4)5)13-18(16)14-22(27)23(28)26-21-15-20(25(6,7)8)12-10-17(21)2/h9-13,15H,14H2,1-8H3,(H,26,28)
InChIKeyUDNDAMUDLOBLQN-UHFFFAOYSA-N
XLogP5.65
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.54
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

methyl 2-(5-tert-butyl-2-methylphenyl)acetate
CID 82127657
N-(5-tert-butyl-2-methylphenyl)prop-2-enamide
CID 139406926
2-[(5-tert-butyl-2-methylphenyl)carbamoylamino]acetic acid
CID 82501431
1-(aminomethyl)-N-(5-tert-butyl-2-methylphenyl)cyclopropane-1-carboxamide
CID 115182511
3-[2-(5-tert-butyl-2-methylphenyl)ethylamino]propanoic acid
CID 115005536
2-(5-tert-butyl-2-methylanilino)ethanol
CID 82492429
N,N'-bis(5-tert-butyl-2-hydroxyphenyl)oxamide
CID 10524086
N,3-bis[5-(2-adamantyl)-2-methylphenyl]-2-oxopropanamide
CID 159844635
2-[(5-tert-butyl-2-methylphenyl)methylamino]acetic acid
CID 82496644
2-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]prop-2-enamide
CID 143016974
5-(5-tert-butyl-2-methylanilino)pentanoic acid
CID 115218859
1-(5-tert-butyl-2-methylphenyl)-N-methylmethanamine
CID 82125631

Frequently Asked Questions

What is the IUPAC name of N,3-bis(5-tert-butyl-2-methylphenyl)-2-oxopropanamide?
The IUPAC name of N,3-bis(5-tert-butyl-2-methylphenyl)-2-oxopropanamide (CID 159844631) is N,3-bis(5-tert-butyl-2-methylphenyl)-2-oxopropanamide.
What is the SMILES notation for N,3-bis(5-tert-butyl-2-methylphenyl)-2-oxopropanamide?
The canonical SMILES for N,3-bis(5-tert-butyl-2-methylphenyl)-2-oxopropanamide is Cc1ccc(C(C)(C)C)cc1CC(=O)C(=O)Nc1cc(C(C)(C)C)ccc1C.
What is the InChIKey of N,3-bis(5-tert-butyl-2-methylphenyl)-2-oxopropanamide?
The InChIKey is UDNDAMUDLOBLQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33NO2/c1-16-9-11-19(24(3,4)5)13-18(16)14-22(27)23(28)26-21-15-20(25(6,7)8)12-10-17(21)2/h9-13,15H,14H2,1-8H3,(H,26,28).
What are the key properties of N,3-bis(5-tert-butyl-2-methylphenyl)-2-oxopropanamide?
N,3-bis(5-tert-butyl-2-methylphenyl)-2-oxopropanamide has a molecular weight of 379.54 g/mol, XLogP of 5.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-bis(5-tert-butyl-2-methylphenyl)-2-oxopropanamide is sourced from PubChem (CID 159844631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).