2-(2,3-dihydro-1H-inden-5-yl)-N-[(2R)-2-(ethylamino)propyl]acetamide;hydrochloride

C16H25ClN2O — CID 120650056

IUPAC2-(2,3-dihydro-1H-inden-5-yl)-N-[(2R)-2-(ethylamino)propyl]acetamide;hydrochloride
SMILESCCN[C@H](C)CNC(=O)Cc1ccc2c(c1)CCC2.Cl
InChIInChI=1S/C16H24N2O.ClH/c1-3-17-12(2)11-18-16(19)10-13-7-8-14-5-4-6-15(14)9-13;/h7-9,12,17H,3-6,10-11H2,1-2H3,(H,18,19);1H/t12-;/m1./s1
InChIKeyYGLBXFTVFZSVMO-UTONKHPSSA-N
MW296.84 g/mol
LogP2.25
Rot. Bonds6

About 2-(2,3-dihydro-1H-inden-5-yl)-N-[(2R)-2-(ethylamino)propyl]acetamide;hydrochloride

2-(2,3-dihydro-1H-inden-5-yl)-N-[(2R)-2-(ethylamino)propyl]acetamide;hydrochloride (PubChem CID 120650056) has the molecular formula C16H25ClN2O and a molecular weight of 296.84 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-5-yl)-N-[(2R)-2-(ethylamino)propyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-5-yl)-N-[(2R)-2-(ethylamino)propyl]acetamide;hydrochloride
PubChem CID120650056
Molecular FormulaC16H25ClN2O
Molecular Weight296.84 g/mol
Exact Mass296.17
IUPAC Name2-(2,3-dihydro-1H-inden-5-yl)-N-[(2R)-2-(ethylamino)propyl]acetamide;hydrochloride
SMILESCCN[C@H](C)CNC(=O)Cc1ccc2c(c1)CCC2.Cl
InChIInChI=1S/C16H24N2O.ClH/c1-3-17-12(2)11-18-16(19)10-13-7-8-14-5-4-6-15(14)9-13;/h7-9,12,17H,3-6,10-11H2,1-2H3,(H,18,19);1H/t12-;/m1./s1
InChIKeyYGLBXFTVFZSVMO-UTONKHPSSA-N
XLogP2.25
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.84
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2R)-2-(ethylamino)propyl]-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
CID 120653209
2-(3,4-difluorophenyl)-N-[(2R)-2-(ethylamino)propyl]acetamide
CID 120652869
N-(4-hydroxy-2-methylpentyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 111447952
2-(2,3-dihydro-1H-inden-5-yl)-N-propan-2-ylacetamide
CID 60645732
2-[[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]methyl]pentanoic acid
CID 65219085
N-[2-(ethylamino)ethyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide;hydrochloride
CID 119508424
N-[(2R)-2-(ethylamino)propyl]-2-(3-iodophenyl)acetamide;hydrochloride
CID 120652816
N-propan-2-yl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 60645733
2-(2,3-dihydro-1H-inden-5-yl)-N-(2-ethyl-2-hydroxybutyl)acetamide
CID 65112006
2-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]propanoic acid
CID 43239418
N-(4-hydroxybutan-2-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 81049521
N-ethyl-2-(1,2,3,4-tetrahydroisoquinolin-7-yl)acetamide
CID 115104802

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-5-yl)-N-[(2R)-2-(ethylamino)propyl]acetamide;hydrochloride?
The IUPAC name of 2-(2,3-dihydro-1H-inden-5-yl)-N-[(2R)-2-(ethylamino)propyl]acetamide;hydrochloride (CID 120650056) is 2-(2,3-dihydro-1H-inden-5-yl)-N-[(2R)-2-(ethylamino)propyl]acetamide;hydrochloride.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-5-yl)-N-[(2R)-2-(ethylamino)propyl]acetamide;hydrochloride?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-5-yl)-N-[(2R)-2-(ethylamino)propyl]acetamide;hydrochloride is CCN[C@H](C)CNC(=O)Cc1ccc2c(c1)CCC2.Cl.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-5-yl)-N-[(2R)-2-(ethylamino)propyl]acetamide;hydrochloride?
The InChIKey is YGLBXFTVFZSVMO-UTONKHPSSA-N. The full InChI is InChI=1S/C16H24N2O.ClH/c1-3-17-12(2)11-18-16(19)10-13-7-8-14-5-4-6-15(14)9-13;/h7-9,12,17H,3-6,10-11H2,1-2H3,(H,18,19);1H/t12-;/m1./s1.
What are the key properties of 2-(2,3-dihydro-1H-inden-5-yl)-N-[(2R)-2-(ethylamino)propyl]acetamide;hydrochloride?
2-(2,3-dihydro-1H-inden-5-yl)-N-[(2R)-2-(ethylamino)propyl]acetamide;hydrochloride has a molecular weight of 296.84 g/mol, XLogP of 2.25, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-5-yl)-N-[(2R)-2-(ethylamino)propyl]acetamide;hydrochloride is sourced from PubChem (CID 120650056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).