N-butyl-5-ethenylnaphthalene-2-carboxamide

C17H19NO — CID 171396737

IUPACN-butyl-5-ethenylnaphthalene-2-carboxamide
SMILESC=Cc1cccc2cc(C(=O)NCCCC)ccc12
InChIInChI=1S/C17H19NO/c1-3-5-11-18-17(19)15-9-10-16-13(4-2)7-6-8-14(16)12-15/h4,6-10,12H,2-3,5,11H2,1H3,(H,18,19)
InChIKeyHTHZUPWRASVFRB-UHFFFAOYSA-N
MW253.34 g/mol
LogP4.01
Rot. Bonds5

About N-butyl-5-ethenylnaphthalene-2-carboxamide

N-butyl-5-ethenylnaphthalene-2-carboxamide (PubChem CID 171396737) has the molecular formula C17H19NO and a molecular weight of 253.34 g/mol. Its IUPAC name is N-butyl-5-ethenylnaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-butyl-5-ethenylnaphthalene-2-carboxamide
PubChem CID171396737
Molecular FormulaC17H19NO
Molecular Weight253.34 g/mol
Exact Mass253.15
IUPAC NameN-butyl-5-ethenylnaphthalene-2-carboxamide
SMILESC=Cc1cccc2cc(C(=O)NCCCC)ccc12
InChIInChI=1S/C17H19NO/c1-3-5-11-18-17(19)15-9-10-16-13(4-2)7-6-8-14(16)12-15/h4,6-10,12H,2-3,5,11H2,1H3,(H,18,19)
InChIKeyHTHZUPWRASVFRB-UHFFFAOYSA-N
XLogP4.01
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-hydroxy-N-propylnaphthalene-2-carboxamide
CID 172677586
N-butyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalene-2-carboxamide
CID 171396835
N-pentylnaphthalene-2-carboxamide
CID 91722098
N-octadecylnaphthalene-2-carboxamide
CID 20549010
N-heptylnaphthalene-2-carboxamide
CID 91722099
3-hydroxy-N-octylbenzamide
CID 115568584
N-octylquinoline-6-carboxamide
CID 68863650
N-propylnaphthalene-2-carboxamide
CID 6624536
3-bromo-N-dodecylbenzamide
CID 603918
N-[4-(naphthalene-2-carbonylamino)butyl]naphthalene-2-carboxamide
CID 101181857
N-butyl-3-(heptanoylamino)benzamide
CID 54789148
N-butyl-2-(2-methylpropyl)quinoline-6-carboxamide
CID 151506512

Frequently Asked Questions

What is the IUPAC name of N-butyl-5-ethenylnaphthalene-2-carboxamide?
The IUPAC name of N-butyl-5-ethenylnaphthalene-2-carboxamide (CID 171396737) is N-butyl-5-ethenylnaphthalene-2-carboxamide.
What is the SMILES notation for N-butyl-5-ethenylnaphthalene-2-carboxamide?
The canonical SMILES for N-butyl-5-ethenylnaphthalene-2-carboxamide is C=Cc1cccc2cc(C(=O)NCCCC)ccc12.
What is the InChIKey of N-butyl-5-ethenylnaphthalene-2-carboxamide?
The InChIKey is HTHZUPWRASVFRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c1-3-5-11-18-17(19)15-9-10-16-13(4-2)7-6-8-14(16)12-15/h4,6-10,12H,2-3,5,11H2,1H3,(H,18,19).
What are the key properties of N-butyl-5-ethenylnaphthalene-2-carboxamide?
N-butyl-5-ethenylnaphthalene-2-carboxamide has a molecular weight of 253.34 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-5-ethenylnaphthalene-2-carboxamide is sourced from PubChem (CID 171396737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).