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

C19H23NO2 — CID 90576829

IUPACN-[4-(2-prop-2-enylphenoxy)but-2-ynyl]cyclopentanecarboxamide
SMILESC=CCc1ccccc1OCC#CCNC(=O)C1CCCC1
InChIInChI=1S/C19H23NO2/c1-2-9-16-10-5-6-13-18(16)22-15-8-7-14-20-19(21)17-11-3-4-12-17/h2,5-6,10,13,17H,1,3-4,9,11-12,14-15H2,(H,20,21)
InChIKeyMANBELIICXKROT-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.10
Rot. Bonds6

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

N-[4-(2-prop-2-enylphenoxy)but-2-ynyl]cyclopentanecarboxamide (PubChem CID 90576829) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is N-[4-(2-prop-2-enylphenoxy)but-2-ynyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[4-(2-prop-2-enylphenoxy)but-2-ynyl]cyclopentanecarboxamide
PubChem CID90576829
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC NameN-[4-(2-prop-2-enylphenoxy)but-2-ynyl]cyclopentanecarboxamide
SMILESC=CCc1ccccc1OCC#CCNC(=O)C1CCCC1
InChIInChI=1S/C19H23NO2/c1-2-9-16-10-5-6-13-18(16)22-15-8-7-14-20-19(21)17-11-3-4-12-17/h2,5-6,10,13,17H,1,3-4,9,11-12,14-15H2,(H,20,21)
InChIKeyMANBELIICXKROT-UHFFFAOYSA-N
XLogP3.10
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.10
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-naphthalen-1-yloxybut-2-ynyl)cyclopentanecarboxamide
CID 90578043
N-(4-naphthalen-1-yloxybut-2-ynyl)cyclobutanecarboxamide
CID 90578198
4-fluoro-N-[4-(2-prop-2-enylphenoxy)but-2-ynyl]benzamide
CID 90576870
N-[4-(2-prop-2-enylphenoxy)but-2-ynyl]naphthalene-2-carboxamide
CID 90576897
1-(2-fluorophenyl)-3-[4-(2-prop-2-enylphenoxy)but-2-ynyl]urea
CID 90577073
2-iodo-N-[4-(2-prop-2-enylphenoxy)but-2-ynyl]benzamide
CID 90576877
(E)-3-phenyl-N-[4-(2-prop-2-enylphenoxy)but-2-ynyl]prop-2-enamide
CID 90576899
N-[4-(2-prop-2-enylphenoxy)but-2-ynyl]methanesulfonamide
CID 90577075
2-phenoxy-N-[4-(2-prop-2-enylphenoxy)but-2-ynyl]benzamide
CID 121131573
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]-1,3-benzodioxole-5-carboxamide
CID 90576864

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-prop-2-enylphenoxy)but-2-ynyl]cyclopentanecarboxamide?
The IUPAC name of N-[4-(2-prop-2-enylphenoxy)but-2-ynyl]cyclopentanecarboxamide (CID 90576829) is N-[4-(2-prop-2-enylphenoxy)but-2-ynyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[4-(2-prop-2-enylphenoxy)but-2-ynyl]cyclopentanecarboxamide?
The canonical SMILES for N-[4-(2-prop-2-enylphenoxy)but-2-ynyl]cyclopentanecarboxamide is C=CCc1ccccc1OCC#CCNC(=O)C1CCCC1.
What is the InChIKey of N-[4-(2-prop-2-enylphenoxy)but-2-ynyl]cyclopentanecarboxamide?
The InChIKey is MANBELIICXKROT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2/c1-2-9-16-10-5-6-13-18(16)22-15-8-7-14-20-19(21)17-11-3-4-12-17/h2,5-6,10,13,17H,1,3-4,9,11-12,14-15H2,(H,20,21).
What are the key properties of N-[4-(2-prop-2-enylphenoxy)but-2-ynyl]cyclopentanecarboxamide?
N-[4-(2-prop-2-enylphenoxy)but-2-ynyl]cyclopentanecarboxamide has a molecular weight of 297.40 g/mol, XLogP of 3.10, 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]cyclopentanecarboxamide is sourced from PubChem (CID 90576829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).