3-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-N-propylpropanamide

C15H22N2O2 — CID 107682295

IUPAC3-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-N-propylpropanamide
SMILESCCCNC(=O)CCNC1CCc2cc(O)ccc21
InChIInChI=1S/C15H22N2O2/c1-2-8-17-15(19)7-9-16-14-6-3-11-10-12(18)4-5-13(11)14/h4-5,10,14,16,18H,2-3,6-9H2,1H3,(H,17,19)
InChIKeyKZPGFIKFQWYJOM-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.89
Rot. Bonds6

About 3-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-N-propylpropanamide

3-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-N-propylpropanamide (PubChem CID 107682295) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 3-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-N-propylpropanamide.

Molecular Properties

Compound Name3-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-N-propylpropanamide
PubChem CID107682295
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name3-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-N-propylpropanamide
SMILESCCCNC(=O)CCNC1CCc2cc(O)ccc21
InChIInChI=1S/C15H22N2O2/c1-2-8-17-15(19)7-9-16-14-6-3-11-10-12(18)4-5-13(11)14/h4-5,10,14,16,18H,2-3,6-9H2,1H3,(H,17,19)
InChIKeyKZPGFIKFQWYJOM-UHFFFAOYSA-N
XLogP1.89
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-3-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]propanamide
CID 116531134
1-(2-methylsulfinylethylamino)-2,3-dihydro-1H-inden-5-ol
CID 107682669
2-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]ethyl carbamate
CID 107682607
1-[(2-ethyl-2-hydroxybutyl)amino]-2,3-dihydro-1H-inden-5-ol
CID 107682417
N,N-diethyl-2-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]acetamide
CID 107682624
1-[2-[cyclopropyl(methyl)amino]ethylamino]-2,3-dihydro-1H-inden-5-ol
CID 107682345
N-ethyl-2-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-N-methylacetamide
CID 107808804
1-(4-aminobutylamino)-2,3-dihydro-1H-inden-5-ol
CID 107682163
3-[(5-chloro-2,3-dihydro-1H-inden-1-yl)amino]-N,N-diethylpropanamide
CID 81321990
1-[(4-ethylphenyl)methylamino]-2,3-dihydro-1H-inden-5-ol
CID 107682734
3-[(5-amino-2,3-dihydro-1H-inden-1-yl)amino]-N-butan-2-ylpropanamide
CID 79730548
1-[2-(trifluoromethylsulfanyl)ethylamino]-2,3-dihydro-1H-inden-5-ol
CID 114187434

Frequently Asked Questions

What is the IUPAC name of 3-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-N-propylpropanamide?
The IUPAC name of 3-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-N-propylpropanamide (CID 107682295) is 3-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-N-propylpropanamide.
What is the SMILES notation for 3-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-N-propylpropanamide?
The canonical SMILES for 3-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-N-propylpropanamide is CCCNC(=O)CCNC1CCc2cc(O)ccc21.
What is the InChIKey of 3-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-N-propylpropanamide?
The InChIKey is KZPGFIKFQWYJOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-2-8-17-15(19)7-9-16-14-6-3-11-10-12(18)4-5-13(11)14/h4-5,10,14,16,18H,2-3,6-9H2,1H3,(H,17,19).
What are the key properties of 3-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-N-propylpropanamide?
3-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-N-propylpropanamide has a molecular weight of 262.35 g/mol, XLogP of 1.89, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]-N-propylpropanamide is sourced from PubChem (CID 107682295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).