2,2-dimethyl-N-(1-phenylethyl)pent-4-enamide

C15H21NO — CID 71378994

IUPAC2,2-dimethyl-N-(1-phenylethyl)pent-4-enamide
SMILESC=CCC(C)(C)C(=O)NC(C)c1ccccc1
InChIInChI=1S/C15H21NO/c1-5-11-15(3,4)14(17)16-12(2)13-9-7-6-8-10-13/h5-10,12H,1,11H2,2-4H3,(H,16,17)
InChIKeyLISKXGXHEJZDFU-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.47
Rot. Bonds5

About 2,2-dimethyl-N-(1-phenylethyl)pent-4-enamide

2,2-dimethyl-N-(1-phenylethyl)pent-4-enamide (PubChem CID 71378994) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 2,2-dimethyl-N-(1-phenylethyl)pent-4-enamide.

Molecular Properties

Compound Name2,2-dimethyl-N-(1-phenylethyl)pent-4-enamide
PubChem CID71378994
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name2,2-dimethyl-N-(1-phenylethyl)pent-4-enamide
SMILESC=CCC(C)(C)C(=O)NC(C)c1ccccc1
InChIInChI=1S/C15H21NO/c1-5-11-15(3,4)14(17)16-12(2)13-9-7-6-8-10-13/h5-10,12H,1,11H2,2-4H3,(H,16,17)
InChIKeyLISKXGXHEJZDFU-UHFFFAOYSA-N
XLogP3.47
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-2,2-dimethyl-N-(1-phenylethyl)propanamide
CID 63681272
3-amino-2,2-dimethyl-N-[(1S)-1-phenylethyl]propanamide
CID 115426736
2,2-dimethyl-N-(1-phenylethyl)propanamide
CID 4252554
2-bromo-2-methyl-N-(1-phenylethyl)propanamide
CID 82109308
3-amino-2,2,3-trimethyl-N-(1-phenylethyl)butanamide
CID 65264623
2,2-diphenyl-N-(1-phenylethyl)propanamide
CID 2939416
2,2-dimethyl-N-(1-phenylethyl)-N'-propan-2-ylpropanediamide
CID 108957197
2-cyano-2-methyl-N-[(1S)-1-phenylethyl]butanamide
CID 114010389
2-(aminomethyl)-2-ethyl-N-[(1S)-1-phenylethyl]butanamide
CID 115432548
(2R)-2-amino-2-methyl-N-[(1R)-1-phenylethyl]pentanamide
CID 93340243
2,2,3,3,3-pentafluoro-N-(1-phenylethyl)propanamide
CID 4153379
3,3-dimethyl-N-(1-phenylethyl)butanamide
CID 5156149

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(1-phenylethyl)pent-4-enamide?
The IUPAC name of 2,2-dimethyl-N-(1-phenylethyl)pent-4-enamide (CID 71378994) is 2,2-dimethyl-N-(1-phenylethyl)pent-4-enamide.
What is the SMILES notation for 2,2-dimethyl-N-(1-phenylethyl)pent-4-enamide?
The canonical SMILES for 2,2-dimethyl-N-(1-phenylethyl)pent-4-enamide is C=CCC(C)(C)C(=O)NC(C)c1ccccc1.
What is the InChIKey of 2,2-dimethyl-N-(1-phenylethyl)pent-4-enamide?
The InChIKey is LISKXGXHEJZDFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-5-11-15(3,4)14(17)16-12(2)13-9-7-6-8-10-13/h5-10,12H,1,11H2,2-4H3,(H,16,17).
What are the key properties of 2,2-dimethyl-N-(1-phenylethyl)pent-4-enamide?
2,2-dimethyl-N-(1-phenylethyl)pent-4-enamide has a molecular weight of 231.34 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(1-phenylethyl)pent-4-enamide is sourced from PubChem (CID 71378994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).