2-acetamido-N-(3,3-diphenylpropyl)-2-methylpropanamide

C21H26N2O2 — CID 51108125

IUPAC2-acetamido-N-(3,3-diphenylpropyl)-2-methylpropanamide
SMILESCC(=O)NC(C)(C)C(=O)NCCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H26N2O2/c1-16(24)23-21(2,3)20(25)22-15-14-19(17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-13,19H,14-15H2,1-3H3,(H,22,25)(H,23,24)
InChIKeyBPKDSTBXJHVRHC-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.24
Rot. Bonds7

About 2-acetamido-N-(3,3-diphenylpropyl)-2-methylpropanamide

2-acetamido-N-(3,3-diphenylpropyl)-2-methylpropanamide (PubChem CID 51108125) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 2-acetamido-N-(3,3-diphenylpropyl)-2-methylpropanamide.

Molecular Properties

Compound Name2-acetamido-N-(3,3-diphenylpropyl)-2-methylpropanamide
PubChem CID51108125
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name2-acetamido-N-(3,3-diphenylpropyl)-2-methylpropanamide
SMILESCC(=O)NC(C)(C)C(=O)NCCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H26N2O2/c1-16(24)23-21(2,3)20(25)22-15-14-19(17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-13,19H,14-15H2,1-3H3,(H,22,25)(H,23,24)
InChIKeyBPKDSTBXJHVRHC-UHFFFAOYSA-N
XLogP3.24
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-(3,3-diphenylpropyl)-2-methylpropanamide?
The IUPAC name of 2-acetamido-N-(3,3-diphenylpropyl)-2-methylpropanamide (CID 51108125) is 2-acetamido-N-(3,3-diphenylpropyl)-2-methylpropanamide.
What is the SMILES notation for 2-acetamido-N-(3,3-diphenylpropyl)-2-methylpropanamide?
The canonical SMILES for 2-acetamido-N-(3,3-diphenylpropyl)-2-methylpropanamide is CC(=O)NC(C)(C)C(=O)NCCC(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-acetamido-N-(3,3-diphenylpropyl)-2-methylpropanamide?
The InChIKey is BPKDSTBXJHVRHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-16(24)23-21(2,3)20(25)22-15-14-19(17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-13,19H,14-15H2,1-3H3,(H,22,25)(H,23,24).
What are the key properties of 2-acetamido-N-(3,3-diphenylpropyl)-2-methylpropanamide?
2-acetamido-N-(3,3-diphenylpropyl)-2-methylpropanamide has a molecular weight of 338.45 g/mol, XLogP of 3.24, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-(3,3-diphenylpropyl)-2-methylpropanamide is sourced from PubChem (CID 51108125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).