N-hex-5-ynylnaphthalene-1-carboxamide

C17H17NO — CID 103757850

IUPACN-hex-5-ynylnaphthalene-1-carboxamide
SMILESC#CCCCCNC(=O)c1cccc2ccccc12
InChIInChI=1S/C17H17NO/c1-2-3-4-7-13-18-17(19)16-12-8-10-14-9-5-6-11-15(14)16/h1,5-6,8-12H,3-4,7,13H2,(H,18,19)
InChIKeyQKWDHPPMJXNRPP-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.37
Rot. Bonds5

About N-hex-5-ynylnaphthalene-1-carboxamide

N-hex-5-ynylnaphthalene-1-carboxamide (PubChem CID 103757850) has the molecular formula C17H17NO and a molecular weight of 251.33 g/mol. Its IUPAC name is N-hex-5-ynylnaphthalene-1-carboxamide.

Molecular Properties

Compound NameN-hex-5-ynylnaphthalene-1-carboxamide
PubChem CID103757850
Molecular FormulaC17H17NO
Molecular Weight251.33 g/mol
Exact Mass251.13
IUPAC NameN-hex-5-ynylnaphthalene-1-carboxamide
SMILESC#CCCCCNC(=O)c1cccc2ccccc12
InChIInChI=1S/C17H17NO/c1-2-3-4-7-13-18-17(19)16-12-8-10-14-9-5-6-11-15(14)16/h1,5-6,8-12H,3-4,7,13H2,(H,18,19)
InChIKeyQKWDHPPMJXNRPP-UHFFFAOYSA-N
XLogP3.37
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.37
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

N-[11-(naphthalene-1-carbonylamino)undecyl]naphthalene-1-carboxamide
CID 137492009
N-hex-5-ynyl-2-iodobenzamide
CID 103758134
N-(6-iodohexyl)naphthalene-1-carboxamide
CID 107848597
N-dodecylnaphthalene-1-carboxamide
CID 4278758
N-(3-chloropropyl)naphthalene-1-carboxamide
CID 17164120
3-amino-N-hex-5-ynyl-2-hydroxybenzamide
CID 114158327
N-hex-5-ynyl-1-benzofuran-3-carboxamide
CID 103757829
6-(naphthalene-1-carbonylamino)hexanoic acid
CID 14196780
2-chloro-3-fluoro-N-hex-5-ynylbenzamide
CID 103757958
2-iodo-N-pent-4-ynylbenzamide
CID 103709110
2-ethyl-N-pent-4-ynylbenzamide
CID 103816602
3-amino-2-hydroxy-N-pent-4-ynylbenzamide
CID 106219804

Frequently Asked Questions

What is the IUPAC name of N-hex-5-ynylnaphthalene-1-carboxamide?
The IUPAC name of N-hex-5-ynylnaphthalene-1-carboxamide (CID 103757850) is N-hex-5-ynylnaphthalene-1-carboxamide.
What is the SMILES notation for N-hex-5-ynylnaphthalene-1-carboxamide?
The canonical SMILES for N-hex-5-ynylnaphthalene-1-carboxamide is C#CCCCCNC(=O)c1cccc2ccccc12.
What is the InChIKey of N-hex-5-ynylnaphthalene-1-carboxamide?
The InChIKey is QKWDHPPMJXNRPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO/c1-2-3-4-7-13-18-17(19)16-12-8-10-14-9-5-6-11-15(14)16/h1,5-6,8-12H,3-4,7,13H2,(H,18,19).
What are the key properties of N-hex-5-ynylnaphthalene-1-carboxamide?
N-hex-5-ynylnaphthalene-1-carboxamide has a molecular weight of 251.33 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-hex-5-ynylnaphthalene-1-carboxamide is sourced from PubChem (CID 103757850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).