3,3-dimethyl-N-(1-phenylethyl)-2-(phenylmethoxyamino)butanamide

C21H28N2O2 — CID 14103751

IUPAC3,3-dimethyl-N-(1-phenylethyl)-2-(phenylmethoxyamino)butanamide
SMILESCC(NC(=O)C(NOCc1ccccc1)C(C)(C)C)c1ccccc1
InChIInChI=1S/C21H28N2O2/c1-16(18-13-9-6-10-14-18)22-20(24)19(21(2,3)4)23-25-15-17-11-7-5-8-12-17/h5-14,16,19,23H,15H2,1-4H3,(H,22,24)
InChIKeyHFJGNOYXGOYEPX-UHFFFAOYSA-N
MW340.47 g/mol
LogP4.00
Rot. Bonds7

About 3,3-dimethyl-N-(1-phenylethyl)-2-(phenylmethoxyamino)butanamide

3,3-dimethyl-N-(1-phenylethyl)-2-(phenylmethoxyamino)butanamide (PubChem CID 14103751) has the molecular formula C21H28N2O2 and a molecular weight of 340.47 g/mol. Its IUPAC name is 3,3-dimethyl-N-(1-phenylethyl)-2-(phenylmethoxyamino)butanamide.

Molecular Properties

Compound Name3,3-dimethyl-N-(1-phenylethyl)-2-(phenylmethoxyamino)butanamide
PubChem CID14103751
Molecular FormulaC21H28N2O2
Molecular Weight340.47 g/mol
Exact Mass340.22
IUPAC Name3,3-dimethyl-N-(1-phenylethyl)-2-(phenylmethoxyamino)butanamide
SMILESCC(NC(=O)C(NOCc1ccccc1)C(C)(C)C)c1ccccc1
InChIInChI=1S/C21H28N2O2/c1-16(18-13-9-6-10-14-18)22-20(24)19(21(2,3)4)23-25-15-17-11-7-5-8-12-17/h5-14,16,19,23H,15H2,1-4H3,(H,22,24)
InChIKeyHFJGNOYXGOYEPX-UHFFFAOYSA-N
XLogP4.00
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-(1-phenylethyl)-2-(phenylmethoxyamino)butanamide?
The IUPAC name of 3,3-dimethyl-N-(1-phenylethyl)-2-(phenylmethoxyamino)butanamide (CID 14103751) is 3,3-dimethyl-N-(1-phenylethyl)-2-(phenylmethoxyamino)butanamide.
What is the SMILES notation for 3,3-dimethyl-N-(1-phenylethyl)-2-(phenylmethoxyamino)butanamide?
The canonical SMILES for 3,3-dimethyl-N-(1-phenylethyl)-2-(phenylmethoxyamino)butanamide is CC(NC(=O)C(NOCc1ccccc1)C(C)(C)C)c1ccccc1.
What is the InChIKey of 3,3-dimethyl-N-(1-phenylethyl)-2-(phenylmethoxyamino)butanamide?
The InChIKey is HFJGNOYXGOYEPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O2/c1-16(18-13-9-6-10-14-18)22-20(24)19(21(2,3)4)23-25-15-17-11-7-5-8-12-17/h5-14,16,19,23H,15H2,1-4H3,(H,22,24).
What are the key properties of 3,3-dimethyl-N-(1-phenylethyl)-2-(phenylmethoxyamino)butanamide?
3,3-dimethyl-N-(1-phenylethyl)-2-(phenylmethoxyamino)butanamide has a molecular weight of 340.47 g/mol, XLogP of 4.00, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-(1-phenylethyl)-2-(phenylmethoxyamino)butanamide is sourced from PubChem (CID 14103751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).