N-(1-chloro-2-phenylpropan-2-yl)-3,4,4-trimethylpentanamide

C17H26ClNO — CID 105059797

IUPACN-(1-chloro-2-phenylpropan-2-yl)-3,4,4-trimethylpentanamide
SMILESCC(CC(=O)NC(C)(CCl)c1ccccc1)C(C)(C)C
InChIInChI=1S/C17H26ClNO/c1-13(16(2,3)4)11-15(20)19-17(5,12-18)14-9-7-6-8-10-14/h6-10,13H,11-12H2,1-5H3,(H,19,20)
InChIKeyYYDZVZHYDYKQMU-UHFFFAOYSA-N
MW295.85 g/mol
LogP4.33
Rot. Bonds5

About N-(1-chloro-2-phenylpropan-2-yl)-3,4,4-trimethylpentanamide

N-(1-chloro-2-phenylpropan-2-yl)-3,4,4-trimethylpentanamide (PubChem CID 105059797) has the molecular formula C17H26ClNO and a molecular weight of 295.85 g/mol. Its IUPAC name is N-(1-chloro-2-phenylpropan-2-yl)-3,4,4-trimethylpentanamide.

Molecular Properties

Compound NameN-(1-chloro-2-phenylpropan-2-yl)-3,4,4-trimethylpentanamide
PubChem CID105059797
Molecular FormulaC17H26ClNO
Molecular Weight295.85 g/mol
Exact Mass295.17
IUPAC NameN-(1-chloro-2-phenylpropan-2-yl)-3,4,4-trimethylpentanamide
SMILESCC(CC(=O)NC(C)(CCl)c1ccccc1)C(C)(C)C
InChIInChI=1S/C17H26ClNO/c1-13(16(2,3)4)11-15(20)19-17(5,12-18)14-9-7-6-8-10-14/h6-10,13H,11-12H2,1-5H3,(H,19,20)
InChIKeyYYDZVZHYDYKQMU-UHFFFAOYSA-N
XLogP4.33
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.85
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(1-chloro-2-phenylpropan-2-yl)-2-methylbutanamide
CID 105059655
N-(1-chloro-2-phenylpropan-2-yl)-2-methylsulfonylacetamide
CID 105059666
N-(1-hydroxy-2-phenylpropan-2-yl)-3-methylpentanamide
CID 105058924
N-(1-chloro-2-phenylpropan-2-yl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103212847
N-(1-chloro-2-phenylpropan-2-yl)-2,6-difluorobenzamide
CID 105059916
(3S)-3,4,4-trimethyl-N-(2-phenylethyl)pentanamide
CID 97019359
N-(1-chloro-2-phenylpropan-2-yl)cyclooctanecarboxamide
CID 105059845
4-bromo-N-(1-chloro-2-phenylpropan-2-yl)-2-hydroxybenzamide
CID 105059796
N-(1-chloro-2-phenylpropan-2-yl)-3-(oxolan-2-yl)propanamide
CID 105059667
N-(1-hydroxy-2-phenylpropan-2-yl)propanamide
CID 105058812
2-chloro-N-(1-chloro-2-phenylpropan-2-yl)-3-methylbenzamide
CID 105059808
N-(2-amino-2-phenylethyl)-3,4,4-trimethylpentanamide
CID 63833481

Frequently Asked Questions

What is the IUPAC name of N-(1-chloro-2-phenylpropan-2-yl)-3,4,4-trimethylpentanamide?
The IUPAC name of N-(1-chloro-2-phenylpropan-2-yl)-3,4,4-trimethylpentanamide (CID 105059797) is N-(1-chloro-2-phenylpropan-2-yl)-3,4,4-trimethylpentanamide.
What is the SMILES notation for N-(1-chloro-2-phenylpropan-2-yl)-3,4,4-trimethylpentanamide?
The canonical SMILES for N-(1-chloro-2-phenylpropan-2-yl)-3,4,4-trimethylpentanamide is CC(CC(=O)NC(C)(CCl)c1ccccc1)C(C)(C)C.
What is the InChIKey of N-(1-chloro-2-phenylpropan-2-yl)-3,4,4-trimethylpentanamide?
The InChIKey is YYDZVZHYDYKQMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClNO/c1-13(16(2,3)4)11-15(20)19-17(5,12-18)14-9-7-6-8-10-14/h6-10,13H,11-12H2,1-5H3,(H,19,20).
What are the key properties of N-(1-chloro-2-phenylpropan-2-yl)-3,4,4-trimethylpentanamide?
N-(1-chloro-2-phenylpropan-2-yl)-3,4,4-trimethylpentanamide has a molecular weight of 295.85 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloro-2-phenylpropan-2-yl)-3,4,4-trimethylpentanamide is sourced from PubChem (CID 105059797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).