N,N,3,3-tetramethyl-2-[(1S)-1-phenylethyl]iminobutanamide

C16H24N2O — CID 11436890

IUPACN,N,3,3-tetramethyl-2-[(1S)-1-phenylethyl]iminobutanamide
SMILESC[C@H](/N=C(\C(=O)N(C)C)C(C)(C)C)c1ccccc1
InChIInChI=1S/C16H24N2O/c1-12(13-10-8-7-9-11-13)17-14(16(2,3)4)15(19)18(5)6/h7-12H,1-6H3/b17-14+/t12-/m0/s1
InChIKeyUOROMFUTXFAHDU-KNEMVRMJSA-N
MW260.38 g/mol
LogP3.32
Rot. Bonds3

About N,N,3,3-tetramethyl-2-[(1S)-1-phenylethyl]iminobutanamide

N,N,3,3-tetramethyl-2-[(1S)-1-phenylethyl]iminobutanamide (PubChem CID 11436890) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is N,N,3,3-tetramethyl-2-[(1S)-1-phenylethyl]iminobutanamide.

Molecular Properties

Compound NameN,N,3,3-tetramethyl-2-[(1S)-1-phenylethyl]iminobutanamide
PubChem CID11436890
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC NameN,N,3,3-tetramethyl-2-[(1S)-1-phenylethyl]iminobutanamide
SMILESC[C@H](/N=C(\C(=O)N(C)C)C(C)(C)C)c1ccccc1
InChIInChI=1S/C16H24N2O/c1-12(13-10-8-7-9-11-13)17-14(16(2,3)4)15(19)18(5)6/h7-12H,1-6H3/b17-14+/t12-/m0/s1
InChIKeyUOROMFUTXFAHDU-KNEMVRMJSA-N
XLogP3.32
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N,N,3,3-tetramethyl-2-[(1S)-1-phenylethyl]iminobutanamide with MolForge

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

Launch Full Analysis

Related Compounds

4-(1-phenylethylimino)pentan-2-one
CID 56976163
4,6-dihydroxy-2,4,6,8-tetramethyl-3,7-diphenylnonan-5-one
CID 141291359
N,N-dimethyl-2,2-diphenylacetamide
CID 19693860
N'-[(1S)-1-phenylethyl]ethanimidamide;hydrobromide
CID 25231669
2,2,2-trifluoro-1-phenyl-N-[(1R)-1-phenylethyl]ethanimine
CID 11323391
2,2,2-trifluoro-N-[(1R)-1-phenylethyl]ethanimidoyl chloride
CID 10966483
(1R,3R)-2,2-dimethyl-1,3-diphenylpropane-1,3-diol
CID 100943216
bis(N,N-dimethyl-2,2-diphenylacetamide);sulfane
CID 89402051
N,N-dimethyl-2,2-diphenylacetamide;ethane
CID 67314826
2-methyl-2-[methyl-(2-methyl-1-phenylpropyl)amino]propanoic acid
CID 65061275
N-(1-phenylethyl)benzenecarboximidoyl chloride
CID 14043800
(2-oxo-1-phenyl-2-pyrrol-1-ylethyl) N,N-dimethylcarbamate
CID 141292238

Frequently Asked Questions

What is the IUPAC name of N,N,3,3-tetramethyl-2-[(1S)-1-phenylethyl]iminobutanamide?
The IUPAC name of N,N,3,3-tetramethyl-2-[(1S)-1-phenylethyl]iminobutanamide (CID 11436890) is N,N,3,3-tetramethyl-2-[(1S)-1-phenylethyl]iminobutanamide.
What is the SMILES notation for N,N,3,3-tetramethyl-2-[(1S)-1-phenylethyl]iminobutanamide?
The canonical SMILES for N,N,3,3-tetramethyl-2-[(1S)-1-phenylethyl]iminobutanamide is C[C@H](/N=C(\C(=O)N(C)C)C(C)(C)C)c1ccccc1.
What is the InChIKey of N,N,3,3-tetramethyl-2-[(1S)-1-phenylethyl]iminobutanamide?
The InChIKey is UOROMFUTXFAHDU-KNEMVRMJSA-N. The full InChI is InChI=1S/C16H24N2O/c1-12(13-10-8-7-9-11-13)17-14(16(2,3)4)15(19)18(5)6/h7-12H,1-6H3/b17-14+/t12-/m0/s1.
What are the key properties of N,N,3,3-tetramethyl-2-[(1S)-1-phenylethyl]iminobutanamide?
N,N,3,3-tetramethyl-2-[(1S)-1-phenylethyl]iminobutanamide has a molecular weight of 260.38 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,3,3-tetramethyl-2-[(1S)-1-phenylethyl]iminobutanamide is sourced from PubChem (CID 11436890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).