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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Related Compounds

3-[benzyl-[(3-methylphenyl)carbamoyl]amino]propanamide
CID 10495245
1-N,4-N-bis(3-amino-3-oxopropyl)-1-N,4-N-dibenzylbenzene-1,4-dicarboxamide
CID 28642997
benzyl N-(5,6,7,8-tetrahydronaphthalen-1-yl)carbamate
CID 91450815
3-[2-[[benzyl-[2-(dimethylamino)ethyl]carbamoyl]amino]phenyl]sulfanylpropanamide
CID 56587087
1-(2-aminoethyl)-1-benzyl-3-(2-fluorophenyl)urea
CID 61014414
N,N'-bis(3-amino-3-oxopropyl)-N,N'-dibenzylhexanediamide
CID 28642999
3-benzylsulfanyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide
CID 8797217
2-amino-N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
CID 24708933
3-[benzyl(methylcarbamothioyl)amino]propanamide
CID 24540897
2-(2-benzylsulfinylethyl)-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine
CID 111807784
1-benzyl-3-(2-chloro-3-methylphenyl)-1-(2-hydroxyethyl)urea
CID 111521290
3-[benzyl-(2,2,2-trichloroacetyl)amino]propanamide
CID 154136275

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).