N-(1,2,3,5,6,7-hexahydro-s-indacen-1-yl)-2-morpholin-4-ylacetamide;hydrochloride

C18H25ClN2O2 — CID 3058671

IUPACN-(1,2,3,5,6,7-hexahydro-s-indacen-1-yl)-2-morpholin-4-ylacetamide;hydrochloride
SMILESCl.O=C(CN1CCOCC1)NC1CCc2cc3c(cc21)CCC3
InChIInChI=1S/C18H24N2O2.ClH/c21-18(12-20-6-8-22-9-7-20)19-17-5-4-15-10-13-2-1-3-14(13)11-16(15)17;/h10-11,17H,1-9,12H2,(H,19,21);1H
InChIKeyKHTFTNKBXNYGGR-UHFFFAOYSA-N
MW336.86 g/mol
LogP2.03
Rot. Bonds3

About N-(1,2,3,5,6,7-hexahydro-s-indacen-1-yl)-2-morpholin-4-ylacetamide;hydrochloride

N-(1,2,3,5,6,7-hexahydro-s-indacen-1-yl)-2-morpholin-4-ylacetamide;hydrochloride (PubChem CID 3058671) has the molecular formula C18H25ClN2O2 and a molecular weight of 336.86 g/mol. Its IUPAC name is N-(1,2,3,5,6,7-hexahydro-s-indacen-1-yl)-2-morpholin-4-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-(1,2,3,5,6,7-hexahydro-s-indacen-1-yl)-2-morpholin-4-ylacetamide;hydrochloride
PubChem CID3058671
Molecular FormulaC18H25ClN2O2
Molecular Weight336.86 g/mol
Exact Mass336.16
IUPAC NameN-(1,2,3,5,6,7-hexahydro-s-indacen-1-yl)-2-morpholin-4-ylacetamide;hydrochloride
SMILESCl.O=C(CN1CCOCC1)NC1CCc2cc3c(cc21)CCC3
InChIInChI=1S/C18H24N2O2.ClH/c21-18(12-20-6-8-22-9-7-20)19-17-5-4-15-10-13-2-1-3-14(13)11-16(15)17;/h10-11,17H,1-9,12H2,(H,19,21);1H
InChIKeyKHTFTNKBXNYGGR-UHFFFAOYSA-N
XLogP2.03
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.86
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,2,3,5,6,7-Hexahydro-s-indacen-1-yl)-1-piperidineacetamide hydrochloride
CID 3058667
Acetamide, N-(1,2,3,5,6,7-hexahydro-s-indacen-1-yl)-2-((1-methylethyl)(phenylmethyl)amino)-, monohydrochloride, hydrate
CID 53269
N-(2,3-Dihydro-1H-inden-1-yl)-N-methyl-2-(morpholin-4-yl)acetamide
CID 110872
1-Indanamine, N-(2-morpholinoacetyl)-
CID 110876
1-Indanamine, N-(2-morpholinopropionyl)-
CID 110879
N-(2,3-Dihydro-1H-inden-1-yl)-4-(morpholin-4-yl)butanimidic acid
CID 110883
1-Indanamine, N-(2-morpholinoacetyl)-2-phenyl-, hydrochloride
CID 115637
4-Morpholineacetamide, N-(2,4-dimethylbenzyl)-, monohydrochloride
CID 121072
N-(1,2,3,5,6,7-Hexahydro-s-indacen-1-yl)-1-pyrrolidineacetamide hydrochloride
CID 3058665
N-(1,2,3,5,6,7-Hexahydro-s-indacen-1-yl)-4-methyl-1-piperazineacetamide dihydrochloride
CID 3058673
4-Morpholineacetamide, N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-, monohydrochloride
CID 3069953
N-(1,2,3,5,6,7-Hexahydro-s-indacen-4-yl)-alpha-methyl-4-morpholineacetamide hydrochloride
CID 3069959

Frequently Asked Questions

What is the IUPAC name of N-(1,2,3,5,6,7-hexahydro-s-indacen-1-yl)-2-morpholin-4-ylacetamide;hydrochloride?
The IUPAC name of N-(1,2,3,5,6,7-hexahydro-s-indacen-1-yl)-2-morpholin-4-ylacetamide;hydrochloride (CID 3058671) is N-(1,2,3,5,6,7-hexahydro-s-indacen-1-yl)-2-morpholin-4-ylacetamide;hydrochloride.
What is the SMILES notation for N-(1,2,3,5,6,7-hexahydro-s-indacen-1-yl)-2-morpholin-4-ylacetamide;hydrochloride?
The canonical SMILES for N-(1,2,3,5,6,7-hexahydro-s-indacen-1-yl)-2-morpholin-4-ylacetamide;hydrochloride is Cl.O=C(CN1CCOCC1)NC1CCc2cc3c(cc21)CCC3.
What is the InChIKey of N-(1,2,3,5,6,7-hexahydro-s-indacen-1-yl)-2-morpholin-4-ylacetamide;hydrochloride?
The InChIKey is KHTFTNKBXNYGGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2.ClH/c21-18(12-20-6-8-22-9-7-20)19-17-5-4-15-10-13-2-1-3-14(13)11-16(15)17;/h10-11,17H,1-9,12H2,(H,19,21);1H.
What are the key properties of N-(1,2,3,5,6,7-hexahydro-s-indacen-1-yl)-2-morpholin-4-ylacetamide;hydrochloride?
N-(1,2,3,5,6,7-hexahydro-s-indacen-1-yl)-2-morpholin-4-ylacetamide;hydrochloride has a molecular weight of 336.86 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,3,5,6,7-hexahydro-s-indacen-1-yl)-2-morpholin-4-ylacetamide;hydrochloride is sourced from PubChem (CID 3058671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).