N-[(1R)-1-naphthalen-1-ylnon-2-ynyl]acetamide

C21H25NO — CID 11623711

IUPACN-[(1R)-1-naphthalen-1-ylnon-2-ynyl]acetamide
SMILESCCCCCCC#C[C@@H](NC(C)=O)c1cccc2ccccc12
InChIInChI=1S/C21H25NO/c1-3-4-5-6-7-8-16-21(22-17(2)23)20-15-11-13-18-12-9-10-14-19(18)20/h9-15,21H,3-7H2,1-2H3,(H,22,23)/t21-/m1/s1
InChIKeyRYKNQRPZEVFLNX-OAQYLSRUSA-N
MW307.44 g/mol
LogP4.99
Rot. Bonds6

About N-[(1R)-1-naphthalen-1-ylnon-2-ynyl]acetamide

N-[(1R)-1-naphthalen-1-ylnon-2-ynyl]acetamide (PubChem CID 11623711) has the molecular formula C21H25NO and a molecular weight of 307.44 g/mol. Its IUPAC name is N-[(1R)-1-naphthalen-1-ylnon-2-ynyl]acetamide.

Molecular Properties

Compound NameN-[(1R)-1-naphthalen-1-ylnon-2-ynyl]acetamide
PubChem CID11623711
Molecular FormulaC21H25NO
Molecular Weight307.44 g/mol
Exact Mass307.19
IUPAC NameN-[(1R)-1-naphthalen-1-ylnon-2-ynyl]acetamide
SMILESCCCCCCC#C[C@@H](NC(C)=O)c1cccc2ccccc12
InChIInChI=1S/C21H25NO/c1-3-4-5-6-7-8-16-21(22-17(2)23)20-15-11-13-18-12-9-10-14-19(18)20/h9-15,21H,3-7H2,1-2H3,(H,22,23)/t21-/m1/s1
InChIKeyRYKNQRPZEVFLNX-OAQYLSRUSA-N
XLogP4.99
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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1-decan-5-ylnaphthalene
CID 14029915
2-naphthalen-1-yldodecanoic acid
CID 23333439
butyl N-[(1R)-1-naphthalen-1-ylethyl]carbamate
CID 125470407
N-[naphthalen-1-yl(octylsulfanyl)methyl]benzamide
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CID 132581027

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-naphthalen-1-ylnon-2-ynyl]acetamide?
The IUPAC name of N-[(1R)-1-naphthalen-1-ylnon-2-ynyl]acetamide (CID 11623711) is N-[(1R)-1-naphthalen-1-ylnon-2-ynyl]acetamide.
What is the SMILES notation for N-[(1R)-1-naphthalen-1-ylnon-2-ynyl]acetamide?
The canonical SMILES for N-[(1R)-1-naphthalen-1-ylnon-2-ynyl]acetamide is CCCCCCC#C[C@@H](NC(C)=O)c1cccc2ccccc12.
What is the InChIKey of N-[(1R)-1-naphthalen-1-ylnon-2-ynyl]acetamide?
The InChIKey is RYKNQRPZEVFLNX-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H25NO/c1-3-4-5-6-7-8-16-21(22-17(2)23)20-15-11-13-18-12-9-10-14-19(18)20/h9-15,21H,3-7H2,1-2H3,(H,22,23)/t21-/m1/s1.
What are the key properties of N-[(1R)-1-naphthalen-1-ylnon-2-ynyl]acetamide?
N-[(1R)-1-naphthalen-1-ylnon-2-ynyl]acetamide has a molecular weight of 307.44 g/mol, XLogP of 4.99, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-naphthalen-1-ylnon-2-ynyl]acetamide is sourced from PubChem (CID 11623711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).