3-[(4-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]propanamide

C12H16N2O2 — CID 43637173

IUPAC3-[(4-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]propanamide
SMILESNC(=O)CCNC1CCc2c(O)cccc21
InChIInChI=1S/C12H16N2O2/c13-12(16)6-7-14-10-5-4-9-8(10)2-1-3-11(9)15/h1-3,10,14-15H,4-7H2,(H2,13,16)
InChIKeyWQNOHMBYWLQTBW-UHFFFAOYSA-N
MW220.27 g/mol
LogP0.84
Rot. Bonds4

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

3-[(4-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]propanamide (PubChem CID 43637173) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 3-[(4-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]propanamide.

Molecular Properties

Compound Name3-[(4-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]propanamide
PubChem CID43637173
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name3-[(4-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]propanamide
SMILESNC(=O)CCNC1CCc2c(O)cccc21
InChIInChI=1S/C12H16N2O2/c13-12(16)6-7-14-10-5-4-9-8(10)2-1-3-11(9)15/h1-3,10,14-15H,4-7H2,(H2,13,16)
InChIKeyWQNOHMBYWLQTBW-UHFFFAOYSA-N
XLogP0.84
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-[(4-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]propanoate
CID 43637145
1-(3-methylsulfinylpropylamino)-2,3-dihydro-1H-inden-4-ol
CID 113343184
1-(2-cyclohexylethylamino)-2,3-dihydro-1H-inden-4-ol
CID 54931966
1-(3-phenoxypropylamino)-2,3-dihydro-1H-inden-4-ol
CID 62380402
1-[2-(cyclohexen-1-yl)ethylamino]-2,3-dihydro-1H-inden-4-ol
CID 43637028
2-[(4-fluoro-2,3-dihydro-1H-inden-1-yl)amino]ethyl carbamate
CID 83209258
methyl 3-[(4-bromo-2,3-dihydro-1H-inden-1-yl)amino]propanoate
CID 103917115
1-(2-prop-2-ynylsulfanylethylamino)-2,3-dihydro-1H-inden-4-ol
CID 106426048
1-(thian-4-ylmethylamino)-2,3-dihydro-1H-inden-4-ol
CID 115869693
1-[(2-chlorophenyl)methylamino]-2,3-dihydro-1H-inden-4-ol
CID 43636953
1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]-2,3-dihydro-1H-inden-4-ol
CID 106413319
1-[[2-(dimethylamino)-2-methylpropyl]amino]-2,3-dihydro-1H-inden-4-ol
CID 43637052

Frequently Asked Questions

What is the IUPAC name of 3-[(4-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]propanamide?
The IUPAC name of 3-[(4-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]propanamide (CID 43637173) is 3-[(4-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]propanamide.
What is the SMILES notation for 3-[(4-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]propanamide?
The canonical SMILES for 3-[(4-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]propanamide is NC(=O)CCNC1CCc2c(O)cccc21.
What is the InChIKey of 3-[(4-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]propanamide?
The InChIKey is WQNOHMBYWLQTBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c13-12(16)6-7-14-10-5-4-9-8(10)2-1-3-11(9)15/h1-3,10,14-15H,4-7H2,(H2,13,16).
What are the key properties of 3-[(4-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]propanamide?
3-[(4-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]propanamide has a molecular weight of 220.27 g/mol, XLogP of 0.84, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]propanamide is sourced from PubChem (CID 43637173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).