N-(2,2-diphenylethyl)-3-(3-methoxyphenyl)prop-2-ynamide

C24H21NO2 — CID 68945753

IUPACN-(2,2-diphenylethyl)-3-(3-methoxyphenyl)prop-2-ynamide
SMILESCOc1cccc(C#CC(=O)NCC(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C24H21NO2/c1-27-22-14-8-9-19(17-22)15-16-24(26)25-18-23(20-10-4-2-5-11-20)21-12-6-3-7-13-21/h2-14,17,23H,18H2,1H3,(H,25,26)
InChIKeyIOTNYVOVDVTRFI-UHFFFAOYSA-N
MW355.44 g/mol
LogP3.99
Rot. Bonds5

About N-(2,2-diphenylethyl)-3-(3-methoxyphenyl)prop-2-ynamide

N-(2,2-diphenylethyl)-3-(3-methoxyphenyl)prop-2-ynamide (PubChem CID 68945753) has the molecular formula C24H21NO2 and a molecular weight of 355.44 g/mol. Its IUPAC name is N-(2,2-diphenylethyl)-3-(3-methoxyphenyl)prop-2-ynamide.

Molecular Properties

Compound NameN-(2,2-diphenylethyl)-3-(3-methoxyphenyl)prop-2-ynamide
PubChem CID68945753
Molecular FormulaC24H21NO2
Molecular Weight355.44 g/mol
Exact Mass355.16
IUPAC NameN-(2,2-diphenylethyl)-3-(3-methoxyphenyl)prop-2-ynamide
SMILESCOc1cccc(C#CC(=O)NCC(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C24H21NO2/c1-27-22-14-8-9-19(17-22)15-16-24(26)25-18-23(20-10-4-2-5-11-20)21-12-6-3-7-13-21/h2-14,17,23H,18H2,1H3,(H,25,26)
InChIKeyIOTNYVOVDVTRFI-UHFFFAOYSA-N
XLogP3.99
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 53.99
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

N-(2,2-diphenylethyl)-3-(2-methylphenyl)prop-2-ynamide
CID 68944805
5-(3-methoxyphenyl)pent-4-ynoic acid
CID 83700907
N,N-diethyl-3-(3-methoxyphenyl)prop-2-ynamide
CID 154716586
methyl 2-(3-phenylprop-2-ynoylamino)acetate
CID 17144567
N-benzyl-3-(4-methoxyphenyl)prop-2-ynamide
CID 12660141
3-(3-methoxyphenyl)-N-methyl-N-(2-phenylethyl)prop-2-ynamide
CID 68942642
methyl 2-[[1-fluoro-4-(3-methoxyphenyl)-1,1-diphenylbut-3-yn-2-yl]amino]acetate
CID 24853850
methyl N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]carbamate
CID 110663358
N-(2-amino-3-hydroxybutyl)-3-phenylprop-2-ynamide
CID 64538951
N-[3-(dimethylamino)propyl]-2-(3-methoxyphenyl)-3-phenylpropanamide
CID 110408193
2-(3-methoxyphenoxy)-N-(2-phenylpropyl)butanamide
CID 133240098
2-amino-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2-phenylacetamide
CID 119830994

Frequently Asked Questions

What is the IUPAC name of N-(2,2-diphenylethyl)-3-(3-methoxyphenyl)prop-2-ynamide?
The IUPAC name of N-(2,2-diphenylethyl)-3-(3-methoxyphenyl)prop-2-ynamide (CID 68945753) is N-(2,2-diphenylethyl)-3-(3-methoxyphenyl)prop-2-ynamide.
What is the SMILES notation for N-(2,2-diphenylethyl)-3-(3-methoxyphenyl)prop-2-ynamide?
The canonical SMILES for N-(2,2-diphenylethyl)-3-(3-methoxyphenyl)prop-2-ynamide is COc1cccc(C#CC(=O)NCC(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of N-(2,2-diphenylethyl)-3-(3-methoxyphenyl)prop-2-ynamide?
The InChIKey is IOTNYVOVDVTRFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO2/c1-27-22-14-8-9-19(17-22)15-16-24(26)25-18-23(20-10-4-2-5-11-20)21-12-6-3-7-13-21/h2-14,17,23H,18H2,1H3,(H,25,26).
What are the key properties of N-(2,2-diphenylethyl)-3-(3-methoxyphenyl)prop-2-ynamide?
N-(2,2-diphenylethyl)-3-(3-methoxyphenyl)prop-2-ynamide has a molecular weight of 355.44 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-diphenylethyl)-3-(3-methoxyphenyl)prop-2-ynamide is sourced from PubChem (CID 68945753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).