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

C25H24N2O — CID 90551907

IUPACN-[3-[4-(dimethylamino)phenyl]prop-2-ynyl]-2,2-diphenylacetamide
SMILESCN(C)c1ccc(C#CCNC(=O)C(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C25H24N2O/c1-27(2)23-17-15-20(16-18-23)10-9-19-26-25(28)24(21-11-5-3-6-12-21)22-13-7-4-8-14-22/h3-8,11-18,24H,19H2,1-2H3,(H,26,28)
InChIKeyDTXOBHYZEOBNFZ-UHFFFAOYSA-N
MW368.48 g/mol
LogP4.05
Rot. Bonds5

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

N-[3-[4-(dimethylamino)phenyl]prop-2-ynyl]-2,2-diphenylacetamide (PubChem CID 90551907) has the molecular formula C25H24N2O and a molecular weight of 368.48 g/mol. Its IUPAC name is N-[3-[4-(dimethylamino)phenyl]prop-2-ynyl]-2,2-diphenylacetamide.

Molecular Properties

Compound NameN-[3-[4-(dimethylamino)phenyl]prop-2-ynyl]-2,2-diphenylacetamide
PubChem CID90551907
Molecular FormulaC25H24N2O
Molecular Weight368.48 g/mol
Exact Mass368.19
IUPAC NameN-[3-[4-(dimethylamino)phenyl]prop-2-ynyl]-2,2-diphenylacetamide
SMILESCN(C)c1ccc(C#CCNC(=O)C(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C25H24N2O/c1-27(2)23-17-15-20(16-18-23)10-9-19-26-25(28)24(21-11-5-3-6-12-21)22-13-7-4-8-14-22/h3-8,11-18,24H,19H2,1-2H3,(H,26,28)
InChIKeyDTXOBHYZEOBNFZ-UHFFFAOYSA-N
XLogP4.05
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 54.05
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

1-[3-[4-(dimethylamino)phenyl]prop-2-ynyl]-3-(2-phenylethyl)urea
CID 90554297
1-tert-butyl-3-[3-[4-(dimethylamino)phenyl]prop-2-ynyl]urea
CID 90554279
2-benzylsulfanyl-N-[3-[4-(dimethylamino)phenyl]prop-2-ynyl]acetamide
CID 90551897
tert-butyl N-[3-[4-(dimethylamino)phenyl]prop-2-ynyl]carbamate
CID 90552009
2,2-diphenyl-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]acetamide
CID 24616941
N-[3-[4-(dimethylamino)phenyl]prop-2-ynyl]-2-oxo-1H-pyridine-3-carboxamide
CID 90551746
4-[3-[[4-(dimethylamino)benzoyl]amino]prop-1-ynyl]benzamide
CID 90549900
N-[3-[4-(dimethylamino)phenyl]prop-2-ynyl]cyclopentanecarboxamide
CID 90551805
4-(dimethylamino)-N-[3-(4-fluorophenyl)prop-2-ynyl]benzamide
CID 90548264
N-[3-[4-(dimethylamino)phenyl]prop-2-ynyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide
CID 90551963
N-[3-[4-(dimethylamino)phenyl]prop-2-ynyl]-1H-indole-2-carboxamide
CID 90551749
N-[3-(4-fluorophenyl)prop-2-ynyl]-2-phenylbutanamide
CID 90548192

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(dimethylamino)phenyl]prop-2-ynyl]-2,2-diphenylacetamide?
The IUPAC name of N-[3-[4-(dimethylamino)phenyl]prop-2-ynyl]-2,2-diphenylacetamide (CID 90551907) is N-[3-[4-(dimethylamino)phenyl]prop-2-ynyl]-2,2-diphenylacetamide.
What is the SMILES notation for N-[3-[4-(dimethylamino)phenyl]prop-2-ynyl]-2,2-diphenylacetamide?
The canonical SMILES for N-[3-[4-(dimethylamino)phenyl]prop-2-ynyl]-2,2-diphenylacetamide is CN(C)c1ccc(C#CCNC(=O)C(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N-[3-[4-(dimethylamino)phenyl]prop-2-ynyl]-2,2-diphenylacetamide?
The InChIKey is DTXOBHYZEOBNFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O/c1-27(2)23-17-15-20(16-18-23)10-9-19-26-25(28)24(21-11-5-3-6-12-21)22-13-7-4-8-14-22/h3-8,11-18,24H,19H2,1-2H3,(H,26,28).
What are the key properties of N-[3-[4-(dimethylamino)phenyl]prop-2-ynyl]-2,2-diphenylacetamide?
N-[3-[4-(dimethylamino)phenyl]prop-2-ynyl]-2,2-diphenylacetamide has a molecular weight of 368.48 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(dimethylamino)phenyl]prop-2-ynyl]-2,2-diphenylacetamide is sourced from PubChem (CID 90551907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).