3-[benzyl(2,3-dihydro-1H-inden-4-ylcarbamoyl)amino]propanamide

C20H23N3O2 — CID 118764444

IUPAC3-[benzyl(2,3-dihydro-1H-inden-4-ylcarbamoyl)amino]propanamide
SMILESNC(=O)CCN(Cc1ccccc1)C(=O)Nc1cccc2c1CCC2
InChIInChI=1S/C20H23N3O2/c21-19(24)12-13-23(14-15-6-2-1-3-7-15)20(25)22-18-11-5-9-16-8-4-10-17(16)18/h1-3,5-7,9,11H,4,8,10,12-14H2,(H2,21,24)(H,22,25)
InChIKeyVVJSZTFKNQYRHO-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.08
Rot. Bonds6

About 3-[benzyl(2,3-dihydro-1H-inden-4-ylcarbamoyl)amino]propanamide

3-[benzyl(2,3-dihydro-1H-inden-4-ylcarbamoyl)amino]propanamide (PubChem CID 118764444) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 3-[benzyl(2,3-dihydro-1H-inden-4-ylcarbamoyl)amino]propanamide.

Molecular Properties

Compound Name3-[benzyl(2,3-dihydro-1H-inden-4-ylcarbamoyl)amino]propanamide
PubChem CID118764444
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name3-[benzyl(2,3-dihydro-1H-inden-4-ylcarbamoyl)amino]propanamide
SMILESNC(=O)CCN(Cc1ccccc1)C(=O)Nc1cccc2c1CCC2
InChIInChI=1S/C20H23N3O2/c21-19(24)12-13-23(14-15-6-2-1-3-7-15)20(25)22-18-11-5-9-16-8-4-10-17(16)18/h1-3,5-7,9,11H,4,8,10,12-14H2,(H2,21,24)(H,22,25)
InChIKeyVVJSZTFKNQYRHO-UHFFFAOYSA-N
XLogP3.08
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[benzyl(2,3-dihydro-1H-inden-4-ylcarbamoyl)amino]propanamide?
The IUPAC name of 3-[benzyl(2,3-dihydro-1H-inden-4-ylcarbamoyl)amino]propanamide (CID 118764444) is 3-[benzyl(2,3-dihydro-1H-inden-4-ylcarbamoyl)amino]propanamide.
What is the SMILES notation for 3-[benzyl(2,3-dihydro-1H-inden-4-ylcarbamoyl)amino]propanamide?
The canonical SMILES for 3-[benzyl(2,3-dihydro-1H-inden-4-ylcarbamoyl)amino]propanamide is NC(=O)CCN(Cc1ccccc1)C(=O)Nc1cccc2c1CCC2.
What is the InChIKey of 3-[benzyl(2,3-dihydro-1H-inden-4-ylcarbamoyl)amino]propanamide?
The InChIKey is VVJSZTFKNQYRHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c21-19(24)12-13-23(14-15-6-2-1-3-7-15)20(25)22-18-11-5-9-16-8-4-10-17(16)18/h1-3,5-7,9,11H,4,8,10,12-14H2,(H2,21,24)(H,22,25).
What are the key properties of 3-[benzyl(2,3-dihydro-1H-inden-4-ylcarbamoyl)amino]propanamide?
3-[benzyl(2,3-dihydro-1H-inden-4-ylcarbamoyl)amino]propanamide has a molecular weight of 337.42 g/mol, XLogP of 3.08, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzyl(2,3-dihydro-1H-inden-4-ylcarbamoyl)amino]propanamide is sourced from PubChem (CID 118764444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).