N-[4-(2-prop-2-enylphenoxy)but-2-ynyl]naphthalene-2-carboxamide

C24H21NO2 — CID 90576897

IUPACN-[4-(2-prop-2-enylphenoxy)but-2-ynyl]naphthalene-2-carboxamide
SMILESC=CCc1ccccc1OCC#CCNC(=O)c1ccc2ccccc2c1
InChIInChI=1S/C24H21NO2/c1-2-9-20-11-5-6-13-23(20)27-17-8-7-16-25-24(26)22-15-14-19-10-3-4-12-21(19)18-22/h2-6,10-15,18H,1,9,16-17H2,(H,25,26)
InChIKeyPCNFHXBYPICBPG-UHFFFAOYSA-N
MW355.44 g/mol
LogP4.38
Rot. Bonds6

About N-[4-(2-prop-2-enylphenoxy)but-2-ynyl]naphthalene-2-carboxamide

N-[4-(2-prop-2-enylphenoxy)but-2-ynyl]naphthalene-2-carboxamide (PubChem CID 90576897) has the molecular formula C24H21NO2 and a molecular weight of 355.44 g/mol. Its IUPAC name is N-[4-(2-prop-2-enylphenoxy)but-2-ynyl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[4-(2-prop-2-enylphenoxy)but-2-ynyl]naphthalene-2-carboxamide
PubChem CID90576897
Molecular FormulaC24H21NO2
Molecular Weight355.44 g/mol
Exact Mass355.16
IUPAC NameN-[4-(2-prop-2-enylphenoxy)but-2-ynyl]naphthalene-2-carboxamide
SMILESC=CCc1ccccc1OCC#CCNC(=O)c1ccc2ccccc2c1
InChIInChI=1S/C24H21NO2/c1-2-9-20-11-5-6-13-23(20)27-17-8-7-16-25-24(26)22-15-14-19-10-3-4-12-21(19)18-22/h2-6,10-15,18H,1,9,16-17H2,(H,25,26)
InChIKeyPCNFHXBYPICBPG-UHFFFAOYSA-N
XLogP4.38
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(2-prop-2-enylphenoxy)but-2-ynyl]-1,3-benzodioxole-5-carboxamide
CID 90576864
3,4-difluoro-N-[4-(2-prop-2-enylphenoxy)but-2-ynyl]benzamide
CID 90576879
4-fluoro-N-[4-(2-prop-2-enylphenoxy)but-2-ynyl]benzamide
CID 90576870
4-phenoxy-N-[4-(2-prop-2-enylphenoxy)but-2-ynyl]benzamide
CID 121131581
4-ethoxy-N-[4-(2-prop-2-enylphenoxy)but-2-ynyl]benzamide
CID 90576857
N-[4-(2-prop-2-enylphenoxy)but-2-ynyl]quinoline-2-carboxamide
CID 90576807
5-bromo-N-[4-(2-prop-2-enylphenoxy)but-2-ynyl]pyridine-3-carboxamide
CID 90576815
N-[4-(2-carbamoylphenoxy)but-2-ynyl]naphthalene-2-carboxamide
CID 90580490
2-phenoxy-N-[4-(2-prop-2-enylphenoxy)but-2-ynyl]benzamide
CID 121131573
2-iodo-N-[4-(2-prop-2-enylphenoxy)but-2-ynyl]benzamide
CID 90576877
4-(diethylsulfamoyl)-N-[4-(2-prop-2-enylphenoxy)but-2-ynyl]benzamide
CID 90576934
2,4-difluoro-N-[4-(2-prop-2-enylphenoxy)but-2-ynyl]benzamide
CID 90576964

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-prop-2-enylphenoxy)but-2-ynyl]naphthalene-2-carboxamide?
The IUPAC name of N-[4-(2-prop-2-enylphenoxy)but-2-ynyl]naphthalene-2-carboxamide (CID 90576897) is N-[4-(2-prop-2-enylphenoxy)but-2-ynyl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[4-(2-prop-2-enylphenoxy)but-2-ynyl]naphthalene-2-carboxamide?
The canonical SMILES for N-[4-(2-prop-2-enylphenoxy)but-2-ynyl]naphthalene-2-carboxamide is C=CCc1ccccc1OCC#CCNC(=O)c1ccc2ccccc2c1.
What is the InChIKey of N-[4-(2-prop-2-enylphenoxy)but-2-ynyl]naphthalene-2-carboxamide?
The InChIKey is PCNFHXBYPICBPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO2/c1-2-9-20-11-5-6-13-23(20)27-17-8-7-16-25-24(26)22-15-14-19-10-3-4-12-21(19)18-22/h2-6,10-15,18H,1,9,16-17H2,(H,25,26).
What are the key properties of N-[4-(2-prop-2-enylphenoxy)but-2-ynyl]naphthalene-2-carboxamide?
N-[4-(2-prop-2-enylphenoxy)but-2-ynyl]naphthalene-2-carboxamide has a molecular weight of 355.44 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-prop-2-enylphenoxy)but-2-ynyl]naphthalene-2-carboxamide is sourced from PubChem (CID 90576897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).