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

C21H22N4O2 — CID 90552532

IUPAC3-(dimethylamino)-N-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]benzamide
SMILESCN(C)c1cccc(C(=O)NCC#Cc2ccc(N3CCNC3=O)cc2)c1
InChIInChI=1S/C21H22N4O2/c1-24(2)19-7-3-6-17(15-19)20(26)22-12-4-5-16-8-10-18(11-9-16)25-14-13-23-21(25)27/h3,6-11,15H,12-14H2,1-2H3,(H,22,26)(H,23,27)
InChIKeyQGABQHBXKRDJJW-UHFFFAOYSA-N
MW362.43 g/mol
LogP2.06
Rot. Bonds4

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

3-(dimethylamino)-N-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]benzamide (PubChem CID 90552532) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is 3-(dimethylamino)-N-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]benzamide.

Molecular Properties

Compound Name3-(dimethylamino)-N-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]benzamide
PubChem CID90552532
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name3-(dimethylamino)-N-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]benzamide
SMILESCN(C)c1cccc(C(=O)NCC#Cc2ccc(N3CCNC3=O)cc2)c1
InChIInChI=1S/C21H22N4O2/c1-24(2)19-7-3-6-17(15-19)20(26)22-12-4-5-16-8-10-18(11-9-16)25-14-13-23-21(25)27/h3,6-11,15H,12-14H2,1-2H3,(H,22,26)(H,23,27)
InChIKeyQGABQHBXKRDJJW-UHFFFAOYSA-N
XLogP2.06
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 52.06
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-[4-(2-oxoimidazolidin-1-yl)phenyl]benzamide
CID 51299898
N-[3-(4-acetylphenyl)prop-2-ynyl]-3-(dimethylamino)benzamide
CID 90549625
N-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]-4-phenoxybenzamide
CID 90552526
N-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]-1,3-benzothiazole-2-carboxamide
CID 90552512
N-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]-2-thiophen-2-ylacetamide
CID 90552459
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]adamantane-1-carboxamide
CID 90552360
3-bromo-N-[3-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]prop-2-ynyl]benzamide
CID 90551299
1-(3,5-dimethoxyphenyl)-3-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]urea
CID 90554549
N-[3-[4-(dimethylamino)phenyl]prop-2-ynyl]-3-methoxybenzamide
CID 90551830
(E)-N-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]-3-thiophen-2-ylprop-2-enamide
CID 90552334

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-N-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]benzamide?
The IUPAC name of 3-(dimethylamino)-N-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]benzamide (CID 90552532) is 3-(dimethylamino)-N-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]benzamide.
What is the SMILES notation for 3-(dimethylamino)-N-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]benzamide?
The canonical SMILES for 3-(dimethylamino)-N-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]benzamide is CN(C)c1cccc(C(=O)NCC#Cc2ccc(N3CCNC3=O)cc2)c1.
What is the InChIKey of 3-(dimethylamino)-N-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]benzamide?
The InChIKey is QGABQHBXKRDJJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-24(2)19-7-3-6-17(15-19)20(26)22-12-4-5-16-8-10-18(11-9-16)25-14-13-23-21(25)27/h3,6-11,15H,12-14H2,1-2H3,(H,22,26)(H,23,27).
What are the key properties of 3-(dimethylamino)-N-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]benzamide?
3-(dimethylamino)-N-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]benzamide has a molecular weight of 362.43 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-N-[3-[4-(2-oxoimidazolidin-1-yl)phenyl]prop-2-ynyl]benzamide is sourced from PubChem (CID 90552532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).