3,5-diacetamido-N-(3-phenylprop-2-ynyl)benzamide

C20H19N3O3 — CID 51332394

IUPAC3,5-diacetamido-N-(3-phenylprop-2-ynyl)benzamide
SMILESCC(=O)Nc1cc(NC(C)=O)cc(C(=O)NCC#Cc2ccccc2)c1
InChIInChI=1S/C20H19N3O3/c1-14(24)22-18-11-17(12-19(13-18)23-15(2)25)20(26)21-10-6-9-16-7-4-3-5-8-16/h3-5,7-8,11-13H,10H2,1-2H3,(H,21,26)(H,22,24)(H,23,25)
InChIKeyOFDOXRZSPOLYDC-UHFFFAOYSA-N
MW349.39 g/mol
LogP2.38
Rot. Bonds4

About 3,5-diacetamido-N-(3-phenylprop-2-ynyl)benzamide

3,5-diacetamido-N-(3-phenylprop-2-ynyl)benzamide (PubChem CID 51332394) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is 3,5-diacetamido-N-(3-phenylprop-2-ynyl)benzamide.

Molecular Properties

Compound Name3,5-diacetamido-N-(3-phenylprop-2-ynyl)benzamide
PubChem CID51332394
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC Name3,5-diacetamido-N-(3-phenylprop-2-ynyl)benzamide
SMILESCC(=O)Nc1cc(NC(C)=O)cc(C(=O)NCC#Cc2ccccc2)c1
InChIInChI=1S/C20H19N3O3/c1-14(24)22-18-11-17(12-19(13-18)23-15(2)25)20(26)21-10-6-9-16-7-4-3-5-8-16/h3-5,7-8,11-13H,10H2,1-2H3,(H,21,26)(H,22,24)(H,23,25)
InChIKeyOFDOXRZSPOLYDC-UHFFFAOYSA-N
XLogP2.38
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(4-acetamidophenyl)prop-2-ynyl]-4-methylbenzamide
CID 90551549
3-(ethylsulfonylamino)-N-(3-phenylprop-2-ynyl)benzamide
CID 24672518
4-[3-[(4-acetamidobenzoyl)amino]prop-1-ynyl]benzamide
CID 90549691
3-(cyclohexanecarbonylamino)-N-(3-phenylprop-2-ynyl)benzamide
CID 55651913
4-nitro-N-(3-phenylprop-2-ynyl)benzamide
CID 51325780
3,5-diacetamido-N-[(1-phenylcyclopropyl)methyl]benzamide
CID 51111712
4,5-dichloro-N-(3-phenylprop-2-ynyl)-1H-pyrrole-2-carboxamide
CID 78836902
N-[3-(4-acetamidophenyl)prop-2-ynyl]-2-methoxybenzamide
CID 90551553
2-methyl-1,3-dioxo-N-(3-phenylprop-2-ynyl)isoindole-5-carboxamide
CID 51332748
2-amino-N-(3-phenylprop-2-ynyl)acetamide
CID 112687685
N-[3-(2-phenylethynyl)phenyl]acetamide
CID 90074626
4-(difluoromethylsulfonyl)-N-(3-phenylprop-2-ynyl)benzamide
CID 51326569

Frequently Asked Questions

What is the IUPAC name of 3,5-diacetamido-N-(3-phenylprop-2-ynyl)benzamide?
The IUPAC name of 3,5-diacetamido-N-(3-phenylprop-2-ynyl)benzamide (CID 51332394) is 3,5-diacetamido-N-(3-phenylprop-2-ynyl)benzamide.
What is the SMILES notation for 3,5-diacetamido-N-(3-phenylprop-2-ynyl)benzamide?
The canonical SMILES for 3,5-diacetamido-N-(3-phenylprop-2-ynyl)benzamide is CC(=O)Nc1cc(NC(C)=O)cc(C(=O)NCC#Cc2ccccc2)c1.
What is the InChIKey of 3,5-diacetamido-N-(3-phenylprop-2-ynyl)benzamide?
The InChIKey is OFDOXRZSPOLYDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3/c1-14(24)22-18-11-17(12-19(13-18)23-15(2)25)20(26)21-10-6-9-16-7-4-3-5-8-16/h3-5,7-8,11-13H,10H2,1-2H3,(H,21,26)(H,22,24)(H,23,25).
What are the key properties of 3,5-diacetamido-N-(3-phenylprop-2-ynyl)benzamide?
3,5-diacetamido-N-(3-phenylprop-2-ynyl)benzamide has a molecular weight of 349.39 g/mol, XLogP of 2.38, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diacetamido-N-(3-phenylprop-2-ynyl)benzamide is sourced from PubChem (CID 51332394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).