N-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]-4-phenylbenzamide

C24H22N2O — CID 90552151

IUPACN-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]-4-phenylbenzamide
SMILESCN(C)c1ccccc1C#CCNC(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C24H22N2O/c1-26(2)23-13-7-6-11-21(23)12-8-18-25-24(27)22-16-14-20(15-17-22)19-9-4-3-5-10-19/h3-7,9-11,13-17H,18H2,1-2H3,(H,25,27)
InChIKeyNAODZQVJYRAKBY-UHFFFAOYSA-N
MW354.45 g/mol
LogP4.20
Rot. Bonds4

About N-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]-4-phenylbenzamide

N-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]-4-phenylbenzamide (PubChem CID 90552151) has the molecular formula C24H22N2O and a molecular weight of 354.45 g/mol. Its IUPAC name is N-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]-4-phenylbenzamide.

Molecular Properties

Compound NameN-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]-4-phenylbenzamide
PubChem CID90552151
Molecular FormulaC24H22N2O
Molecular Weight354.45 g/mol
Exact Mass354.17
IUPAC NameN-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]-4-phenylbenzamide
SMILESCN(C)c1ccccc1C#CCNC(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C24H22N2O/c1-26(2)23-13-7-6-11-21(23)12-8-18-25-24(27)22-16-14-20(15-17-22)19-9-4-3-5-10-19/h3-7,9-11,13-17H,18H2,1-2H3,(H,25,27)
InChIKeyNAODZQVJYRAKBY-UHFFFAOYSA-N
XLogP4.20
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(diethylsulfamoyl)-N-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]benzamide
CID 90552189
N-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]-2-methylbenzamide
CID 90552098
N-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]naphthalene-1-carboxamide
CID 90552148
N-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]-2,2-dimethylpropanamide
CID 90552074
N-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]quinoxaline-2-carboxamide
CID 90552242
N-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 90552032
N-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]pentanamide
CID 90552073
N-[3-(2-chlorophenyl)prop-2-ynyl]-4-methylbenzamide
CID 90548651
N-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]-2-(4-methylphenoxy)acetamide
CID 90552168
1-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]-3-(3-phenylpropyl)urea
CID 90554436
N-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
CID 90552025
1-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]-3-(3,4-dimethylphenyl)urea
CID 90554417

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]-4-phenylbenzamide?
The IUPAC name of N-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]-4-phenylbenzamide (CID 90552151) is N-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]-4-phenylbenzamide.
What is the SMILES notation for N-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]-4-phenylbenzamide?
The canonical SMILES for N-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]-4-phenylbenzamide is CN(C)c1ccccc1C#CCNC(=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]-4-phenylbenzamide?
The InChIKey is NAODZQVJYRAKBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O/c1-26(2)23-13-7-6-11-21(23)12-8-18-25-24(27)22-16-14-20(15-17-22)19-9-4-3-5-10-19/h3-7,9-11,13-17H,18H2,1-2H3,(H,25,27).
What are the key properties of N-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]-4-phenylbenzamide?
N-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]-4-phenylbenzamide has a molecular weight of 354.45 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]-4-phenylbenzamide is sourced from PubChem (CID 90552151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).