2-phenyl-N-(2,4,4-trimethylpentan-2-yl)prop-2-enamide

C17H25NO — CID 58159202

IUPAC2-phenyl-N-(2,4,4-trimethylpentan-2-yl)prop-2-enamide
SMILESC=C(C(=O)NC(C)(C)CC(C)(C)C)c1ccccc1
InChIInChI=1S/C17H25NO/c1-13(14-10-8-7-9-11-14)15(19)18-17(5,6)12-16(2,3)4/h7-11H,1,12H2,2-6H3,(H,18,19)
InChIKeyHCLLVUMYYKCEEZ-UHFFFAOYSA-N
MW259.39 g/mol
LogP4.03
Rot. Bonds4

About 2-phenyl-N-(2,4,4-trimethylpentan-2-yl)prop-2-enamide

2-phenyl-N-(2,4,4-trimethylpentan-2-yl)prop-2-enamide (PubChem CID 58159202) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 2-phenyl-N-(2,4,4-trimethylpentan-2-yl)prop-2-enamide.

Molecular Properties

Compound Name2-phenyl-N-(2,4,4-trimethylpentan-2-yl)prop-2-enamide
PubChem CID58159202
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name2-phenyl-N-(2,4,4-trimethylpentan-2-yl)prop-2-enamide
SMILESC=C(C(=O)NC(C)(C)CC(C)(C)C)c1ccccc1
InChIInChI=1S/C17H25NO/c1-13(14-10-8-7-9-11-14)15(19)18-17(5,6)12-16(2,3)4/h7-11H,1,12H2,2-6H3,(H,18,19)
InChIKeyHCLLVUMYYKCEEZ-UHFFFAOYSA-N
XLogP4.03
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-phenyl-N-(2,4,4-trimethylpentan-2-yl)prop-2-enamide 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

(E)-2,3-diphenyl-N-(2,4,4-trimethylpentan-2-yl)prop-2-enamide
CID 94842470
N-(2-chlorophenyl)-N'-(2,4,4-trimethylpentan-2-yl)oxamide
CID 108500305
N-[(Z)-1-(furan-2-yl)-3-oxo-3-(2,4,4-trimethylpentan-2-ylamino)prop-1-en-2-yl]benzamide
CID 100544884
2-hydroxy-N-(2,4,4-trimethylpentan-2-yl)benzamide
CID 54943331
(2S)-2-amino-2-phenyl-N-(2,4,4-trimethylpentan-2-yl)acetamide
CID 104897348
N-tert-butyl-2-oxo-2-phenylacetamide
CID 10965642
4-tert-butyl-N-(2,4,4-trimethylpentan-2-yl)benzamide
CID 974128
N'-(2,4,4-trimethylpentan-2-yl)oxamide
CID 22558493
2-phenylsulfanyl-N-(2,4,4-trimethylpentan-2-yl)propanamide
CID 133244491
1-[(E)-2-phenylethenyl]-3-(2,4,4-trimethylpentan-2-yl)urea
CID 108903266
2-fluoro-N-(2,4,4-trimethylpentan-2-yl)benzamide
CID 1241760
N-methyl-2-[4-[3-(methylamino)-3-oxoprop-1-en-2-yl]phenyl]prop-2-enamide
CID 70360767

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-(2,4,4-trimethylpentan-2-yl)prop-2-enamide?
The IUPAC name of 2-phenyl-N-(2,4,4-trimethylpentan-2-yl)prop-2-enamide (CID 58159202) is 2-phenyl-N-(2,4,4-trimethylpentan-2-yl)prop-2-enamide.
What is the SMILES notation for 2-phenyl-N-(2,4,4-trimethylpentan-2-yl)prop-2-enamide?
The canonical SMILES for 2-phenyl-N-(2,4,4-trimethylpentan-2-yl)prop-2-enamide is C=C(C(=O)NC(C)(C)CC(C)(C)C)c1ccccc1.
What is the InChIKey of 2-phenyl-N-(2,4,4-trimethylpentan-2-yl)prop-2-enamide?
The InChIKey is HCLLVUMYYKCEEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-13(14-10-8-7-9-11-14)15(19)18-17(5,6)12-16(2,3)4/h7-11H,1,12H2,2-6H3,(H,18,19).
What are the key properties of 2-phenyl-N-(2,4,4-trimethylpentan-2-yl)prop-2-enamide?
2-phenyl-N-(2,4,4-trimethylpentan-2-yl)prop-2-enamide has a molecular weight of 259.39 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-(2,4,4-trimethylpentan-2-yl)prop-2-enamide is sourced from PubChem (CID 58159202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).