N-(4-acetamido-3,5-dimethylphenyl)-3-phenylprop-2-ynamide

C19H18N2O2 — CID 75377163

IUPACN-(4-acetamido-3,5-dimethylphenyl)-3-phenylprop-2-ynamide
SMILESCC(=O)Nc1c(C)cc(NC(=O)C#Cc2ccccc2)cc1C
InChIInChI=1S/C19H18N2O2/c1-13-11-17(12-14(2)19(13)20-15(3)22)21-18(23)10-9-16-7-5-4-6-8-16/h4-8,11-12H,1-3H3,(H,20,22)(H,21,23)
InChIKeyCGSHPMGSOUGIQR-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.25
Rot. Bonds2

About N-(4-acetamido-3,5-dimethylphenyl)-3-phenylprop-2-ynamide

N-(4-acetamido-3,5-dimethylphenyl)-3-phenylprop-2-ynamide (PubChem CID 75377163) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is N-(4-acetamido-3,5-dimethylphenyl)-3-phenylprop-2-ynamide.

Molecular Properties

Compound NameN-(4-acetamido-3,5-dimethylphenyl)-3-phenylprop-2-ynamide
PubChem CID75377163
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC NameN-(4-acetamido-3,5-dimethylphenyl)-3-phenylprop-2-ynamide
SMILESCC(=O)Nc1c(C)cc(NC(=O)C#Cc2ccccc2)cc1C
InChIInChI=1S/C19H18N2O2/c1-13-11-17(12-14(2)19(13)20-15(3)22)21-18(23)10-9-16-7-5-4-6-8-16/h4-8,11-12H,1-3H3,(H,20,22)(H,21,23)
InChIKeyCGSHPMGSOUGIQR-UHFFFAOYSA-N
XLogP3.25
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-iodo-4-methylphenyl)-3-phenylprop-2-ynamide
CID 114257133
N-(4-anilino-2,6-dimethylphenyl)acetamide
CID 69353089
N-(3,5-dichloro-4-hydroxyphenyl)-3-phenylprop-2-ynamide
CID 82885550
N-(3-methyl-4-pyridin-3-yloxyphenyl)-3-phenylprop-2-ynamide
CID 166220719
N-[3-(2-phenylethynyl)phenyl]acetamide
CID 90074626
3-phenyl-N-[4-(trifluoromethyl)phenyl]prop-2-ynamide
CID 156695258
N-isoquinolin-6-yl-3-phenylprop-2-ynamide
CID 135200057
N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]-3-phenylprop-2-ynamide
CID 122137616
3-phenyl-N,N'-bis(2,4,6-trimethylphenyl)prop-2-ynimidamide
CID 20660785
2-[2-(3-phenylprop-2-ynoylamino)phenyl]acetic acid
CID 62534943
N-(2-aminophenyl)-3-phenylprop-2-ynamide
CID 43600037
N-[4-chloro-3-(methylsulfinylmethyl)phenyl]-3-phenylprop-2-ynamide
CID 122144789

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamido-3,5-dimethylphenyl)-3-phenylprop-2-ynamide?
The IUPAC name of N-(4-acetamido-3,5-dimethylphenyl)-3-phenylprop-2-ynamide (CID 75377163) is N-(4-acetamido-3,5-dimethylphenyl)-3-phenylprop-2-ynamide.
What is the SMILES notation for N-(4-acetamido-3,5-dimethylphenyl)-3-phenylprop-2-ynamide?
The canonical SMILES for N-(4-acetamido-3,5-dimethylphenyl)-3-phenylprop-2-ynamide is CC(=O)Nc1c(C)cc(NC(=O)C#Cc2ccccc2)cc1C.
What is the InChIKey of N-(4-acetamido-3,5-dimethylphenyl)-3-phenylprop-2-ynamide?
The InChIKey is CGSHPMGSOUGIQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2/c1-13-11-17(12-14(2)19(13)20-15(3)22)21-18(23)10-9-16-7-5-4-6-8-16/h4-8,11-12H,1-3H3,(H,20,22)(H,21,23).
What are the key properties of N-(4-acetamido-3,5-dimethylphenyl)-3-phenylprop-2-ynamide?
N-(4-acetamido-3,5-dimethylphenyl)-3-phenylprop-2-ynamide has a molecular weight of 306.37 g/mol, XLogP of 3.25, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamido-3,5-dimethylphenyl)-3-phenylprop-2-ynamide is sourced from PubChem (CID 75377163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).