3-amino-2,2,3-trimethyl-N-(1-phenylethyl)butanamide

C15H24N2O — CID 65264623

IUPAC3-amino-2,2,3-trimethyl-N-(1-phenylethyl)butanamide
SMILESCC(NC(=O)C(C)(C)C(C)(C)N)c1ccccc1
InChIInChI=1S/C15H24N2O/c1-11(12-9-7-6-8-10-12)17-13(18)14(2,3)15(4,5)16/h6-11H,16H2,1-5H3,(H,17,18)
InChIKeyTYIHZOAORLUVGM-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.63
Rot. Bonds4

About 3-amino-2,2,3-trimethyl-N-(1-phenylethyl)butanamide

3-amino-2,2,3-trimethyl-N-(1-phenylethyl)butanamide (PubChem CID 65264623) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 3-amino-2,2,3-trimethyl-N-(1-phenylethyl)butanamide.

Molecular Properties

Compound Name3-amino-2,2,3-trimethyl-N-(1-phenylethyl)butanamide
PubChem CID65264623
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name3-amino-2,2,3-trimethyl-N-(1-phenylethyl)butanamide
SMILESCC(NC(=O)C(C)(C)C(C)(C)N)c1ccccc1
InChIInChI=1S/C15H24N2O/c1-11(12-9-7-6-8-10-12)17-13(18)14(2,3)15(4,5)16/h6-11H,16H2,1-5H3,(H,17,18)
InChIKeyTYIHZOAORLUVGM-UHFFFAOYSA-N
XLogP2.63
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-2,2,3-trimethyl-N-[(1S)-1-pyridin-4-ylethyl]butanamide
CID 81410592
2,2-dimethyl-N-(1-phenylethyl)propanamide
CID 4252554
3-amino-N-[(1R)-1-(4-methoxyphenyl)ethyl]-2,2,3-trimethylbutanamide
CID 81363369
2-bromo-2-methyl-N-(1-phenylethyl)propanamide
CID 82109308
3-amino-2,2-dimethyl-N-[(1S)-1-phenylethyl]propanamide
CID 115426736
(2R)-2-amino-2-methyl-N-[(1R)-1-phenylethyl]pentanamide
CID 93340243
2-amino-2-cyclopropyl-N-[(1R)-1-phenylethyl]propanamide
CID 55252127
2,2-diphenyl-N-(1-phenylethyl)propanamide
CID 2939416
2,2-dimethyl-N-(1-phenylethyl)-N'-propan-2-ylpropanediamide
CID 108957197
3-chloro-2,2-dimethyl-N-(1-phenylethyl)propanamide
CID 63681272
2,2,3,3,3-pentafluoro-N-(1-phenylethyl)propanamide
CID 4153379
2,2,3,3,3-pentafluoro-N-[(1S)-1-phenylethyl]propanamide
CID 14877204

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,2,3-trimethyl-N-(1-phenylethyl)butanamide?
The IUPAC name of 3-amino-2,2,3-trimethyl-N-(1-phenylethyl)butanamide (CID 65264623) is 3-amino-2,2,3-trimethyl-N-(1-phenylethyl)butanamide.
What is the SMILES notation for 3-amino-2,2,3-trimethyl-N-(1-phenylethyl)butanamide?
The canonical SMILES for 3-amino-2,2,3-trimethyl-N-(1-phenylethyl)butanamide is CC(NC(=O)C(C)(C)C(C)(C)N)c1ccccc1.
What is the InChIKey of 3-amino-2,2,3-trimethyl-N-(1-phenylethyl)butanamide?
The InChIKey is TYIHZOAORLUVGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-11(12-9-7-6-8-10-12)17-13(18)14(2,3)15(4,5)16/h6-11H,16H2,1-5H3,(H,17,18).
What are the key properties of 3-amino-2,2,3-trimethyl-N-(1-phenylethyl)butanamide?
3-amino-2,2,3-trimethyl-N-(1-phenylethyl)butanamide has a molecular weight of 248.37 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,2,3-trimethyl-N-(1-phenylethyl)butanamide is sourced from PubChem (CID 65264623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).