N-but-3-yn-2-yl-2-naphthalen-2-ylacetamide

C16H15NO — CID 114389774

IUPACN-but-3-yn-2-yl-2-naphthalen-2-ylacetamide
SMILESC#CC(C)NC(=O)Cc1ccc2ccccc2c1
InChIInChI=1S/C16H15NO/c1-3-12(2)17-16(18)11-13-8-9-14-6-4-5-7-15(14)10-13/h1,4-10,12H,11H2,2H3,(H,17,18)
InChIKeyVRDWOFHDJOEACB-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.52
Rot. Bonds3

About N-but-3-yn-2-yl-2-naphthalen-2-ylacetamide

N-but-3-yn-2-yl-2-naphthalen-2-ylacetamide (PubChem CID 114389774) has the molecular formula C16H15NO and a molecular weight of 237.30 g/mol. Its IUPAC name is N-but-3-yn-2-yl-2-naphthalen-2-ylacetamide.

Molecular Properties

Compound NameN-but-3-yn-2-yl-2-naphthalen-2-ylacetamide
PubChem CID114389774
Molecular FormulaC16H15NO
Molecular Weight237.30 g/mol
Exact Mass237.12
IUPAC NameN-but-3-yn-2-yl-2-naphthalen-2-ylacetamide
SMILESC#CC(C)NC(=O)Cc1ccc2ccccc2c1
InChIInChI=1S/C16H15NO/c1-3-12(2)17-16(18)11-13-8-9-14-6-4-5-7-15(14)10-13/h1,4-10,12H,11H2,2H3,(H,17,18)
InChIKeyVRDWOFHDJOEACB-UHFFFAOYSA-N
XLogP2.52
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.52
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

N-hex-1-yn-3-yl-2-naphthalen-2-ylacetamide
CID 103528710
N-[(2R)-2-hydroxypropyl]-2-naphthalen-2-ylacetamide
CID 83032079
N-(1-cyanopropan-2-yl)-2-naphthalen-2-ylacetamide
CID 62090634
4-methyl-2-[(2-naphthalen-2-ylacetyl)amino]pentanoic acid
CID 18070230
N-(5-chloropentan-2-yl)-2-naphthalen-2-ylacetamide
CID 114305681
2-[(2-naphthalen-2-ylacetyl)amino]propanediamide
CID 134011808
2-naphthalen-2-yl-N-[4-(propan-2-ylcarbamoylamino)phenyl]acetamide
CID 38196427
N-[[4-(1-aminoethyl)phenyl]methyl]-2-naphthalen-2-ylacetamide
CID 155821496
2-naphthalen-2-yl-N-[1-(3,4,5-trimethoxyphenyl)ethyl]acetamide
CID 55709663
N-but-3-yn-2-yl-2-(2,6-difluorophenyl)acetamide
CID 114390036
N-[4-[1-[(2-naphthalen-2-ylacetyl)amino]ethyl]phenyl]cyclopropanecarboxamide
CID 46468266
2-naphthalen-2-yl-N-pent-4-ynylacetamide
CID 103709060

Frequently Asked Questions

What is the IUPAC name of N-but-3-yn-2-yl-2-naphthalen-2-ylacetamide?
The IUPAC name of N-but-3-yn-2-yl-2-naphthalen-2-ylacetamide (CID 114389774) is N-but-3-yn-2-yl-2-naphthalen-2-ylacetamide.
What is the SMILES notation for N-but-3-yn-2-yl-2-naphthalen-2-ylacetamide?
The canonical SMILES for N-but-3-yn-2-yl-2-naphthalen-2-ylacetamide is C#CC(C)NC(=O)Cc1ccc2ccccc2c1.
What is the InChIKey of N-but-3-yn-2-yl-2-naphthalen-2-ylacetamide?
The InChIKey is VRDWOFHDJOEACB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO/c1-3-12(2)17-16(18)11-13-8-9-14-6-4-5-7-15(14)10-13/h1,4-10,12H,11H2,2H3,(H,17,18).
What are the key properties of N-but-3-yn-2-yl-2-naphthalen-2-ylacetamide?
N-but-3-yn-2-yl-2-naphthalen-2-ylacetamide has a molecular weight of 237.30 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-yn-2-yl-2-naphthalen-2-ylacetamide is sourced from PubChem (CID 114389774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).