N-[1-[2-(1-acetamido-3,3-dimethyl-2-oxobutyl)phenyl]-3,3-dimethyl-2-oxobutyl]acetamide

C22H32N2O4 — CID 67787856

IUPACN-[1-[2-(1-acetamido-3,3-dimethyl-2-oxobutyl)phenyl]-3,3-dimethyl-2-oxobutyl]acetamide
SMILESCC(=O)NC(C(=O)C(C)(C)C)c1ccccc1C(NC(C)=O)C(=O)C(C)(C)C
InChIInChI=1S/C22H32N2O4/c1-13(25)23-17(19(27)21(3,4)5)15-11-9-10-12-16(15)18(24-14(2)26)20(28)22(6,7)8/h9-12,17-18H,1-8H3,(H,23,25)(H,24,26)
InChIKeyNRIADKNCODCMTG-UHFFFAOYSA-N
MW388.51 g/mol
LogP3.27
Rot. Bonds6

About N-[1-[2-(1-acetamido-3,3-dimethyl-2-oxobutyl)phenyl]-3,3-dimethyl-2-oxobutyl]acetamide

N-[1-[2-(1-acetamido-3,3-dimethyl-2-oxobutyl)phenyl]-3,3-dimethyl-2-oxobutyl]acetamide (PubChem CID 67787856) has the molecular formula C22H32N2O4 and a molecular weight of 388.51 g/mol. Its IUPAC name is N-[1-[2-(1-acetamido-3,3-dimethyl-2-oxobutyl)phenyl]-3,3-dimethyl-2-oxobutyl]acetamide.

Molecular Properties

Compound NameN-[1-[2-(1-acetamido-3,3-dimethyl-2-oxobutyl)phenyl]-3,3-dimethyl-2-oxobutyl]acetamide
PubChem CID67787856
Molecular FormulaC22H32N2O4
Molecular Weight388.51 g/mol
Exact Mass388.24
IUPAC NameN-[1-[2-(1-acetamido-3,3-dimethyl-2-oxobutyl)phenyl]-3,3-dimethyl-2-oxobutyl]acetamide
SMILESCC(=O)NC(C(=O)C(C)(C)C)c1ccccc1C(NC(C)=O)C(=O)C(C)(C)C
InChIInChI=1S/C22H32N2O4/c1-13(25)23-17(19(27)21(3,4)5)15-11-9-10-12-16(15)18(24-14(2)26)20(28)22(6,7)8/h9-12,17-18H,1-8H3,(H,23,25)(H,24,26)
InChIKeyNRIADKNCODCMTG-UHFFFAOYSA-N
XLogP3.27
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[1-[2-(1-acetamido-3,3-dimethyl-2-oxobutyl)phenyl]-3,3-dimethyl-2-oxobutyl]acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(1-acetamido-3,3-dimethyl-2-oxobutyl)phenyl]-3,3-dimethyl-2-oxobutyl]acetamide?
The IUPAC name of N-[1-[2-(1-acetamido-3,3-dimethyl-2-oxobutyl)phenyl]-3,3-dimethyl-2-oxobutyl]acetamide (CID 67787856) is N-[1-[2-(1-acetamido-3,3-dimethyl-2-oxobutyl)phenyl]-3,3-dimethyl-2-oxobutyl]acetamide.
What is the SMILES notation for N-[1-[2-(1-acetamido-3,3-dimethyl-2-oxobutyl)phenyl]-3,3-dimethyl-2-oxobutyl]acetamide?
The canonical SMILES for N-[1-[2-(1-acetamido-3,3-dimethyl-2-oxobutyl)phenyl]-3,3-dimethyl-2-oxobutyl]acetamide is CC(=O)NC(C(=O)C(C)(C)C)c1ccccc1C(NC(C)=O)C(=O)C(C)(C)C.
What is the InChIKey of N-[1-[2-(1-acetamido-3,3-dimethyl-2-oxobutyl)phenyl]-3,3-dimethyl-2-oxobutyl]acetamide?
The InChIKey is NRIADKNCODCMTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O4/c1-13(25)23-17(19(27)21(3,4)5)15-11-9-10-12-16(15)18(24-14(2)26)20(28)22(6,7)8/h9-12,17-18H,1-8H3,(H,23,25)(H,24,26).
What are the key properties of N-[1-[2-(1-acetamido-3,3-dimethyl-2-oxobutyl)phenyl]-3,3-dimethyl-2-oxobutyl]acetamide?
N-[1-[2-(1-acetamido-3,3-dimethyl-2-oxobutyl)phenyl]-3,3-dimethyl-2-oxobutyl]acetamide has a molecular weight of 388.51 g/mol, XLogP of 3.27, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(1-acetamido-3,3-dimethyl-2-oxobutyl)phenyl]-3,3-dimethyl-2-oxobutyl]acetamide is sourced from PubChem (CID 67787856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).