4-[3-(3-phenylpropanoylamino)prop-1-ynyl]benzamide

C19H18N2O2 — CID 90549829

IUPAC4-[3-(3-phenylpropanoylamino)prop-1-ynyl]benzamide
SMILESNC(=O)c1ccc(C#CCNC(=O)CCc2ccccc2)cc1
InChIInChI=1S/C19H18N2O2/c20-19(23)17-11-8-16(9-12-17)7-4-14-21-18(22)13-10-15-5-2-1-3-6-15/h1-3,5-6,8-9,11-12H,10,13-14H2,(H2,20,23)(H,21,22)
InChIKeyGUASVJNPSRBZAK-UHFFFAOYSA-N
MW306.37 g/mol
LogP1.89
Rot. Bonds5

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

4-[3-(3-phenylpropanoylamino)prop-1-ynyl]benzamide (PubChem CID 90549829) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is 4-[3-(3-phenylpropanoylamino)prop-1-ynyl]benzamide.

Molecular Properties

Compound Name4-[3-(3-phenylpropanoylamino)prop-1-ynyl]benzamide
PubChem CID90549829
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC Name4-[3-(3-phenylpropanoylamino)prop-1-ynyl]benzamide
SMILESNC(=O)c1ccc(C#CCNC(=O)CCc2ccccc2)cc1
InChIInChI=1S/C19H18N2O2/c20-19(23)17-11-8-16(9-12-17)7-4-14-21-18(22)13-10-15-5-2-1-3-6-15/h1-3,5-6,8-9,11-12H,10,13-14H2,(H2,20,23)(H,21,22)
InChIKeyGUASVJNPSRBZAK-UHFFFAOYSA-N
XLogP1.89
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 51.89
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

4-[3-(4-phenylbutanoylamino)prop-1-ynyl]benzamide
CID 90549830
4-[3-[(2-phenoxyacetyl)amino]prop-1-ynyl]benzamide
CID 90549800
4-[3-(3-chloropropanoylamino)prop-1-ynyl]benzamide
CID 90549738
4-[3-(4-chlorobutanoylamino)prop-1-ynyl]benzamide
CID 90549739
4-[3-[[4-(4-chlorophenyl)-4-oxobutanoyl]amino]prop-1-ynyl]benzamide
CID 90549694
3-[4-(methylsulfamoyl)phenyl]-N-(3-phenylprop-2-ynyl)propanamide
CID 51332572
4-[3-[(2-naphthalen-1-ylacetyl)amino]prop-1-ynyl]benzamide
CID 90549825
3-(4-methoxyphenyl)-N-[3-(4-methoxyphenyl)prop-2-ynyl]propanamide
CID 90549032
4-(3-phenylpropanoylamino)benzamide
CID 675903
N-[3-[4-(2-oxopiperidin-1-yl)phenyl]prop-2-ynyl]-3-phenylpropanamide
CID 90551083
2-amino-N-(3-phenylprop-2-ynyl)acetamide
CID 112687685
4-[3-[(2,2,2-trifluoroacetyl)amino]prop-1-ynyl]benzamide
CID 90549909

Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-phenylpropanoylamino)prop-1-ynyl]benzamide?
The IUPAC name of 4-[3-(3-phenylpropanoylamino)prop-1-ynyl]benzamide (CID 90549829) is 4-[3-(3-phenylpropanoylamino)prop-1-ynyl]benzamide.
What is the SMILES notation for 4-[3-(3-phenylpropanoylamino)prop-1-ynyl]benzamide?
The canonical SMILES for 4-[3-(3-phenylpropanoylamino)prop-1-ynyl]benzamide is NC(=O)c1ccc(C#CCNC(=O)CCc2ccccc2)cc1.
What is the InChIKey of 4-[3-(3-phenylpropanoylamino)prop-1-ynyl]benzamide?
The InChIKey is GUASVJNPSRBZAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2/c20-19(23)17-11-8-16(9-12-17)7-4-14-21-18(22)13-10-15-5-2-1-3-6-15/h1-3,5-6,8-9,11-12H,10,13-14H2,(H2,20,23)(H,21,22).
What are the key properties of 4-[3-(3-phenylpropanoylamino)prop-1-ynyl]benzamide?
4-[3-(3-phenylpropanoylamino)prop-1-ynyl]benzamide has a molecular weight of 306.37 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-phenylpropanoylamino)prop-1-ynyl]benzamide is sourced from PubChem (CID 90549829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).