4-[3-[(4-acetamidobenzoyl)amino]prop-1-ynyl]benzamide

C19H17N3O3 — CID 90549691

IUPAC4-[3-[(4-acetamidobenzoyl)amino]prop-1-ynyl]benzamide
SMILESCC(=O)Nc1ccc(C(=O)NCC#Cc2ccc(C(N)=O)cc2)cc1
InChIInChI=1S/C19H17N3O3/c1-13(23)22-17-10-8-16(9-11-17)19(25)21-12-2-3-14-4-6-15(7-5-14)18(20)24/h4-11H,12H2,1H3,(H2,20,24)(H,21,25)(H,22,23)
InChIKeyZIAWDIHNSVTKJH-UHFFFAOYSA-N
MW335.36 g/mol
LogP1.53
Rot. Bonds4

About 4-[3-[(4-acetamidobenzoyl)amino]prop-1-ynyl]benzamide

4-[3-[(4-acetamidobenzoyl)amino]prop-1-ynyl]benzamide (PubChem CID 90549691) has the molecular formula C19H17N3O3 and a molecular weight of 335.36 g/mol. Its IUPAC name is 4-[3-[(4-acetamidobenzoyl)amino]prop-1-ynyl]benzamide.

Molecular Properties

Compound Name4-[3-[(4-acetamidobenzoyl)amino]prop-1-ynyl]benzamide
PubChem CID90549691
Molecular FormulaC19H17N3O3
Molecular Weight335.36 g/mol
Exact Mass335.13
IUPAC Name4-[3-[(4-acetamidobenzoyl)amino]prop-1-ynyl]benzamide
SMILESCC(=O)Nc1ccc(C(=O)NCC#Cc2ccc(C(N)=O)cc2)cc1
InChIInChI=1S/C19H17N3O3/c1-13(23)22-17-10-8-16(9-11-17)19(25)21-12-2-3-14-4-6-15(7-5-14)18(20)24/h4-11H,12H2,1H3,(H2,20,24)(H,21,25)(H,22,23)
InChIKeyZIAWDIHNSVTKJH-UHFFFAOYSA-N
XLogP1.53
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 51.53
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
4-[3-[(4-chlorobenzoyl)amino]prop-1-ynyl]benzamide
CID 90549768
4-[3-[(4-bromobenzoyl)amino]prop-1-ynyl]benzamide
CID 90549771
4-[3-[[4-(dimethylamino)benzoyl]amino]prop-1-ynyl]benzamide
CID 90549900
4-[3-[(4-acetamidophenyl)sulfonylamino]prop-1-ynyl]benzamide
CID 90553441
4-N-(4-acetamidophenyl)benzene-1,4-dicarboxamide
CID 27648779
N-[3-(4-acetamidophenyl)prop-2-ynyl]propanamide
CID 90551520
3,5-diacetamido-N-(3-phenylprop-2-ynyl)benzamide
CID 51332394
4-[3-[(2,2,2-trifluoroacetyl)amino]prop-1-ynyl]benzamide
CID 90549909
4-[3-(3-chloropropanoylamino)prop-1-ynyl]benzamide
CID 90549738
N-[3-(4-carbamoylphenyl)prop-2-ynyl]-1H-indole-5-carboxamide
CID 90549925
N-[4-[3-(tert-butylcarbamoylamino)prop-1-ynyl]phenyl]acetamide
CID 90554161

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(4-acetamidobenzoyl)amino]prop-1-ynyl]benzamide?
The IUPAC name of 4-[3-[(4-acetamidobenzoyl)amino]prop-1-ynyl]benzamide (CID 90549691) is 4-[3-[(4-acetamidobenzoyl)amino]prop-1-ynyl]benzamide.
What is the SMILES notation for 4-[3-[(4-acetamidobenzoyl)amino]prop-1-ynyl]benzamide?
The canonical SMILES for 4-[3-[(4-acetamidobenzoyl)amino]prop-1-ynyl]benzamide is CC(=O)Nc1ccc(C(=O)NCC#Cc2ccc(C(N)=O)cc2)cc1.
What is the InChIKey of 4-[3-[(4-acetamidobenzoyl)amino]prop-1-ynyl]benzamide?
The InChIKey is ZIAWDIHNSVTKJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3/c1-13(23)22-17-10-8-16(9-11-17)19(25)21-12-2-3-14-4-6-15(7-5-14)18(20)24/h4-11H,12H2,1H3,(H2,20,24)(H,21,25)(H,22,23).
What are the key properties of 4-[3-[(4-acetamidobenzoyl)amino]prop-1-ynyl]benzamide?
4-[3-[(4-acetamidobenzoyl)amino]prop-1-ynyl]benzamide has a molecular weight of 335.36 g/mol, XLogP of 1.53, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(4-acetamidobenzoyl)amino]prop-1-ynyl]benzamide is sourced from PubChem (CID 90549691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).