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

C25H21N3O3 — CID 90552526

IUPACN-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]-4-phenoxybenzamide
SMILESO=C(NCC#Cc1ccc(N2CCNC2=O)cc1)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C25H21N3O3/c29-24(20-10-14-23(15-11-20)31-22-6-2-1-3-7-22)26-16-4-5-19-8-12-21(13-9-19)28-18-17-27-25(28)30/h1-3,6-15H,16-18H2,(H,26,29)(H,27,30)
InChIKeyUMEXCRIUEQZGET-UHFFFAOYSA-N
MW411.46 g/mol
LogP3.79
Rot. Bonds5

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

N-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]-4-phenoxybenzamide (PubChem CID 90552526) has the molecular formula C25H21N3O3 and a molecular weight of 411.46 g/mol. Its IUPAC name is N-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]-4-phenoxybenzamide.

Molecular Properties

Compound NameN-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]-4-phenoxybenzamide
PubChem CID90552526
Molecular FormulaC25H21N3O3
Molecular Weight411.46 g/mol
Exact Mass411.16
IUPAC NameN-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]-4-phenoxybenzamide
SMILESO=C(NCC#Cc1ccc(N2CCNC2=O)cc1)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C25H21N3O3/c29-24(20-10-14-23(15-11-20)31-22-6-2-1-3-7-22)26-16-4-5-19-8-12-21(13-9-19)28-18-17-27-25(28)30/h1-3,6-15H,16-18H2,(H,26,29)(H,27,30)
InChIKeyUMEXCRIUEQZGET-UHFFFAOYSA-N
XLogP3.79
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.46
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,5-dimethyl-N-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]benzamide
CID 90552376
3-(dimethylamino)-N-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]benzamide
CID 90552532
N-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]quinoxaline-2-carboxamide
CID 90552518
N-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]-1,3-benzothiazole-2-carboxamide
CID 90552512
1-(4-methoxyphenyl)-3-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]urea
CID 90554526
N-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]-2-thiophen-2-ylacetamide
CID 90552459
1-(2-ethoxyphenyl)-3-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]urea
CID 90554539
1-(3,5-dimethoxyphenyl)-3-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]urea
CID 90554549
N-[4-(4-methylphenoxy)phenyl]-4-(2-oxoimidazolidin-1-yl)benzamide
CID 134055639
N-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]adamantane-1-carboxamide
CID 90552360
N-[(2-methoxyphenyl)methyl]-4-(2-oxoimidazolidin-1-yl)benzamide
CID 51299036
N-[2-(4-methylphenoxy)phenyl]-4-(2-oxoimidazolidin-1-yl)benzamide
CID 134055701

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]-4-phenoxybenzamide?
The IUPAC name of N-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]-4-phenoxybenzamide (CID 90552526) is N-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]-4-phenoxybenzamide.
What is the SMILES notation for N-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]-4-phenoxybenzamide?
The canonical SMILES for N-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]-4-phenoxybenzamide is O=C(NCC#Cc1ccc(N2CCNC2=O)cc1)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of N-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]-4-phenoxybenzamide?
The InChIKey is UMEXCRIUEQZGET-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O3/c29-24(20-10-14-23(15-11-20)31-22-6-2-1-3-7-22)26-16-4-5-19-8-12-21(13-9-19)28-18-17-27-25(28)30/h1-3,6-15H,16-18H2,(H,26,29)(H,27,30).
What are the key properties of N-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]-4-phenoxybenzamide?
N-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]-4-phenoxybenzamide has a molecular weight of 411.46 g/mol, XLogP of 3.79, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]-4-phenoxybenzamide is sourced from PubChem (CID 90552526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).