N-(3-methylpent-1-yn-3-yl)-2-phenylacetamide

C14H17NO — CID 3649343

IUPACN-(3-methylpent-1-yn-3-yl)-2-phenylacetamide
SMILESC#CC(C)(CC)NC(=O)Cc1ccccc1
InChIInChI=1S/C14H17NO/c1-4-14(3,5-2)15-13(16)11-12-9-7-6-8-10-12/h1,6-10H,5,11H2,2-3H3,(H,15,16)
InChIKeyMHDWGTMDKXUYML-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.15
Rot. Bonds4

About N-(3-methylpent-1-yn-3-yl)-2-phenylacetamide

N-(3-methylpent-1-yn-3-yl)-2-phenylacetamide (PubChem CID 3649343) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is N-(3-methylpent-1-yn-3-yl)-2-phenylacetamide.

Molecular Properties

Compound NameN-(3-methylpent-1-yn-3-yl)-2-phenylacetamide
PubChem CID3649343
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC NameN-(3-methylpent-1-yn-3-yl)-2-phenylacetamide
SMILESC#CC(C)(CC)NC(=O)Cc1ccccc1
InChIInChI=1S/C14H17NO/c1-4-14(3,5-2)15-13(16)11-12-9-7-6-8-10-12/h1,6-10H,5,11H2,2-3H3,(H,15,16)
InChIKeyMHDWGTMDKXUYML-UHFFFAOYSA-N
XLogP2.15
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(4-chlorophenyl)-N-(3-methylpent-1-yn-3-yl)acetamide
CID 4303275
N-(3-methylpent-1-yn-3-yl)-2-(4-nitrophenyl)acetamide
CID 4303276
N-(3-hydroxy-2,3-dimethylbutan-2-yl)-2-phenylacetamide
CID 113354468
N-(1-bromo-2-methylpropan-2-yl)-2-phenylacetamide
CID 114307896
5-(3-methylpent-1-yn-3-ylamino)furan-2-carboxylic acid
CID 131111101
N-[4-(tert-butylamino)phenyl]-2-phenylacetamide
CID 112984887
3-ethoxy-2-methyl-3-oxo-2-[(2-phenylacetyl)amino]propanoic acid
CID 134098342
N-[1-cyano-1-(4-methylphenyl)ethyl]-2-phenylacetamide
CID 62707555
N-(1-amino-2,3-dimethylbutan-2-yl)-2-phenylacetamide;hydrochloride
CID 119608428
benzene;1-phenylpropan-2-one
CID 21430852
N-(2-cyanobutan-2-yl)-2-thiophen-3-ylacetamide
CID 61118996
3-(ethylamino)-3-methyl-1-phenylbutan-2-one
CID 116565964

Frequently Asked Questions

What is the IUPAC name of N-(3-methylpent-1-yn-3-yl)-2-phenylacetamide?
The IUPAC name of N-(3-methylpent-1-yn-3-yl)-2-phenylacetamide (CID 3649343) is N-(3-methylpent-1-yn-3-yl)-2-phenylacetamide.
What is the SMILES notation for N-(3-methylpent-1-yn-3-yl)-2-phenylacetamide?
The canonical SMILES for N-(3-methylpent-1-yn-3-yl)-2-phenylacetamide is C#CC(C)(CC)NC(=O)Cc1ccccc1.
What is the InChIKey of N-(3-methylpent-1-yn-3-yl)-2-phenylacetamide?
The InChIKey is MHDWGTMDKXUYML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c1-4-14(3,5-2)15-13(16)11-12-9-7-6-8-10-12/h1,6-10H,5,11H2,2-3H3,(H,15,16).
What are the key properties of N-(3-methylpent-1-yn-3-yl)-2-phenylacetamide?
N-(3-methylpent-1-yn-3-yl)-2-phenylacetamide has a molecular weight of 215.30 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylpent-1-yn-3-yl)-2-phenylacetamide is sourced from PubChem (CID 3649343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).