N-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]adamantane-1-carboxamide

C23H27N3O2 — CID 90552360

IUPACN-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]adamantane-1-carboxamide
SMILESO=C1NCCN1c1ccc(C#CCNC(=O)C23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C23H27N3O2/c27-21(23-13-17-10-18(14-23)12-19(11-17)15-23)24-7-1-2-16-3-5-20(6-4-16)26-9-8-25-22(26)28/h3-6,17-19H,7-15H2,(H,24,27)(H,25,28)
InChIKeyQITOZOADNWKIQY-UHFFFAOYSA-N
MW377.49 g/mol
LogP2.90
Rot. Bonds3

About N-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]adamantane-1-carboxamide

N-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]adamantane-1-carboxamide (PubChem CID 90552360) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is N-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]adamantane-1-carboxamide
PubChem CID90552360
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC NameN-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]adamantane-1-carboxamide
SMILESO=C1NCCN1c1ccc(C#CCNC(=O)C23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C23H27N3O2/c27-21(23-13-17-10-18(14-23)12-19(11-17)15-23)24-7-1-2-16-3-5-20(6-4-16)26-9-8-25-22(26)28/h3-6,17-19H,7-15H2,(H,24,27)(H,25,28)
InChIKeyQITOZOADNWKIQY-UHFFFAOYSA-N
XLogP2.90
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]adamantane-1-carboxamide?
The IUPAC name of N-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]adamantane-1-carboxamide (CID 90552360) is N-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]adamantane-1-carboxamide.
What is the SMILES notation for N-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]adamantane-1-carboxamide?
The canonical SMILES for N-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]adamantane-1-carboxamide is O=C1NCCN1c1ccc(C#CCNC(=O)C23CC4CC(CC(C4)C2)C3)cc1.
What is the InChIKey of N-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]adamantane-1-carboxamide?
The InChIKey is QITOZOADNWKIQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2/c27-21(23-13-17-10-18(14-23)12-19(11-17)15-23)24-7-1-2-16-3-5-20(6-4-16)26-9-8-25-22(26)28/h3-6,17-19H,7-15H2,(H,24,27)(H,25,28).
What are the key properties of N-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]adamantane-1-carboxamide?
N-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]adamantane-1-carboxamide has a molecular weight of 377.49 g/mol, XLogP of 2.90, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]adamantane-1-carboxamide is sourced from PubChem (CID 90552360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).