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

C19H27ClN2O2 — CID 3069959

IUPACN-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-morpholin-4-ylpropanamide;hydrochloride
SMILESCC(C(=O)Nc1c2c(cc3c1CCC3)CCC2)N1CCOCC1.Cl
InChIInChI=1S/C19H26N2O2.ClH/c1-13(21-8-10-23-11-9-21)19(22)20-18-16-6-2-4-14(16)12-15-5-3-7-17(15)18;/h12-13H,2-11H2,1H3,(H,20,22);1H
InChIKeyVZLFUAKLEGENRA-UHFFFAOYSA-N
MW350.89 g/mol
LogP2.74
Rot. Bonds3

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

N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-morpholin-4-ylpropanamide;hydrochloride (PubChem CID 3069959) has the molecular formula C19H27ClN2O2 and a molecular weight of 350.89 g/mol. Its IUPAC name is N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-morpholin-4-ylpropanamide;hydrochloride.

Molecular Properties

Compound NameN-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-morpholin-4-ylpropanamide;hydrochloride
PubChem CID3069959
Molecular FormulaC19H27ClN2O2
Molecular Weight350.89 g/mol
Exact Mass350.18
IUPAC NameN-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-morpholin-4-ylpropanamide;hydrochloride
SMILESCC(C(=O)Nc1c2c(cc3c1CCC3)CCC2)N1CCOCC1.Cl
InChIInChI=1S/C19H26N2O2.ClH/c1-13(21-8-10-23-11-9-21)19(22)20-18-16-6-2-4-14(16)12-15-5-3-7-17(15)18;/h12-13H,2-11H2,1H3,(H,20,22);1H
InChIKeyVZLFUAKLEGENRA-UHFFFAOYSA-N
XLogP2.74
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.89
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-morpholin-4-ylpropanamide;hydrochloride with MolForge

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Related Compounds

1-Pyrrolidineacetamide, N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-, monohydrochloride
CID 3069950
N-(2,3-Dimethylphenyl)-2-(morpholin-4-YL)acetamide
CID 755358
2-(Diethylamino)-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)propanamide hydrochloride
CID 3069966
Morlincain
CID 53279
N-(4-tert-butyl-2,6-dimethylphenyl)-2-(4-morpholinyl)acetamide
CID 832498
N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-(1-pyrrolidinyl)propanamide
CID 15945647
N-(2,4-dimethyl-5-(morpholinomethyl)phenyl)-2,2-dimethylbutanamide
CID 45484720
N-(2,3-dihydro-1H-inden-5-yl)-2-morpholin-4-ylacetamide
CID 2519679
1-Piperidinepropanamide, N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-, monohydrochloride
CID 3069963
4-Morpholineaceto-o-toluidide, 5'-ethyl-
CID 120316
4-Morpholineacetamide, N-(2,3,5,6-tetramethylphenyl)-, monohydrochloride
CID 216311
1-Piperidineacetamide, N-(2,3,5,6-tetramethylphenyl)-, monohydrochloride
CID 216313

Frequently Asked Questions

What is the IUPAC name of N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-morpholin-4-ylpropanamide;hydrochloride?
The IUPAC name of N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-morpholin-4-ylpropanamide;hydrochloride (CID 3069959) is N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-morpholin-4-ylpropanamide;hydrochloride.
What is the SMILES notation for N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-morpholin-4-ylpropanamide;hydrochloride?
The canonical SMILES for N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-morpholin-4-ylpropanamide;hydrochloride is CC(C(=O)Nc1c2c(cc3c1CCC3)CCC2)N1CCOCC1.Cl.
What is the InChIKey of N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-morpholin-4-ylpropanamide;hydrochloride?
The InChIKey is VZLFUAKLEGENRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2.ClH/c1-13(21-8-10-23-11-9-21)19(22)20-18-16-6-2-4-14(16)12-15-5-3-7-17(15)18;/h12-13H,2-11H2,1H3,(H,20,22);1H.
What are the key properties of N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-morpholin-4-ylpropanamide;hydrochloride?
N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-2-morpholin-4-ylpropanamide;hydrochloride has a molecular weight of 350.89 g/mol, XLogP of 2.74, 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-4-yl)-2-morpholin-4-ylpropanamide;hydrochloride is sourced from PubChem (CID 3069959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).