N-(2,3-dihydro-1H-inden-2-yl)-N-propylpropanamide

C15H21NO — CID 19710204

IUPACN-(2,3-dihydro-1H-inden-2-yl)-N-propylpropanamide
SMILESCCCN(C(=O)CC)C1Cc2ccccc2C1
InChIInChI=1S/C15H21NO/c1-3-9-16(15(17)4-2)14-10-12-7-5-6-8-13(12)11-14/h5-8,14H,3-4,9-11H2,1-2H3
InChIKeyNBXAEWKURNJVNA-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.80
Rot. Bonds4

About N-(2,3-dihydro-1H-inden-2-yl)-N-propylpropanamide

N-(2,3-dihydro-1H-inden-2-yl)-N-propylpropanamide (PubChem CID 19710204) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-2-yl)-N-propylpropanamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-2-yl)-N-propylpropanamide
PubChem CID19710204
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC NameN-(2,3-dihydro-1H-inden-2-yl)-N-propylpropanamide
SMILESCCCN(C(=O)CC)C1Cc2ccccc2C1
InChIInChI=1S/C15H21NO/c1-3-9-16(15(17)4-2)14-10-12-7-5-6-8-13(12)11-14/h5-8,14H,3-4,9-11H2,1-2H3
InChIKeyNBXAEWKURNJVNA-UHFFFAOYSA-N
XLogP2.80
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-2-yl)-N-propylpropanamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-2-yl)-N-propylpropanamide (CID 19710204) is N-(2,3-dihydro-1H-inden-2-yl)-N-propylpropanamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-2-yl)-N-propylpropanamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-2-yl)-N-propylpropanamide is CCCN(C(=O)CC)C1Cc2ccccc2C1.
What is the InChIKey of N-(2,3-dihydro-1H-inden-2-yl)-N-propylpropanamide?
The InChIKey is NBXAEWKURNJVNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-3-9-16(15(17)4-2)14-10-12-7-5-6-8-13(12)11-14/h5-8,14H,3-4,9-11H2,1-2H3.
What are the key properties of N-(2,3-dihydro-1H-inden-2-yl)-N-propylpropanamide?
N-(2,3-dihydro-1H-inden-2-yl)-N-propylpropanamide has a molecular weight of 231.34 g/mol, XLogP of 2.80, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-2-yl)-N-propylpropanamide is sourced from PubChem (CID 19710204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).