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

C19H29ClN2O — CID 3069966

IUPAC2-(diethylamino)-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)propanamide;hydrochloride
SMILESCCN(CC)C(C)C(=O)Nc1c2c(cc3c1CCC3)CCC2.Cl
InChIInChI=1S/C19H28N2O.ClH/c1-4-21(5-2)13(3)19(22)20-18-16-10-6-8-14(16)12-15-9-7-11-17(15)18;/h12-13H,4-11H2,1-3H3,(H,20,22);1H
InChIKeyMJPPNRQXMIUHGO-UHFFFAOYSA-N
MW336.91 g/mol
LogP3.75
Rot. Bonds5

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

2-(diethylamino)-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)propanamide;hydrochloride (PubChem CID 3069966) has the molecular formula C19H29ClN2O and a molecular weight of 336.91 g/mol. Its IUPAC name is 2-(diethylamino)-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)propanamide;hydrochloride.

Molecular Properties

Compound Name2-(diethylamino)-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)propanamide;hydrochloride
PubChem CID3069966
Molecular FormulaC19H29ClN2O
Molecular Weight336.91 g/mol
Exact Mass336.20
IUPAC Name2-(diethylamino)-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)propanamide;hydrochloride
SMILESCCN(CC)C(C)C(=O)Nc1c2c(cc3c1CCC3)CCC2.Cl
InChIInChI=1S/C19H28N2O.ClH/c1-4-21(5-2)13(3)19(22)20-18-16-10-6-8-14(16)12-15-9-7-11-17(15)18;/h12-13H,4-11H2,1-3H3,(H,20,22);1H
InChIKeyMJPPNRQXMIUHGO-UHFFFAOYSA-N
XLogP3.75
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.91
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

diethyl-[(2S)-1-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylamino)-1-oxopropan-2-yl]azanium
CID 6947938
(2S)-2-(diethylamino)-N-(2,6-dimethylphenyl)propanamide
CID 7044016
1-[1-(dimethylamino)propan-2-yl-methylamino]sulfanyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
CID 146395361
1-butan-2-ylsulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
CID 142529699
3-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylamino)-3-oxopropanoic acid
CID 162650421
ethyl (2R)-2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoyloxy)propanoate;ethyl (2R)-2-hydroxypropanoate
CID 158499287
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[(E)-3-methylpent-1-enyl]sulfonylurea
CID 155007218
2-(4-chloropyrazol-1-yl)-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)propanamide
CID 175033378
2-(1,2,3,5,6,7-hexahydro-s-indacen-4-ylcarbamoylamino)-N-methylacetamide
CID 162654807
1-[3-(dipropylamino)-2-methylpropyl]sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
CID 142529580
3-(5,6-diethyl-2,3-dihydro-1H-inden-4-yl)-1,1-dimethylurea
CID 171086952
CID 175947030
CID 175947030

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)propanamide;hydrochloride?
The IUPAC name of 2-(diethylamino)-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)propanamide;hydrochloride (CID 3069966) is 2-(diethylamino)-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)propanamide;hydrochloride.
What is the SMILES notation for 2-(diethylamino)-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)propanamide;hydrochloride?
The canonical SMILES for 2-(diethylamino)-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)propanamide;hydrochloride is CCN(CC)C(C)C(=O)Nc1c2c(cc3c1CCC3)CCC2.Cl.
What is the InChIKey of 2-(diethylamino)-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)propanamide;hydrochloride?
The InChIKey is MJPPNRQXMIUHGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O.ClH/c1-4-21(5-2)13(3)19(22)20-18-16-10-6-8-14(16)12-15-9-7-11-17(15)18;/h12-13H,4-11H2,1-3H3,(H,20,22);1H.
What are the key properties of 2-(diethylamino)-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)propanamide;hydrochloride?
2-(diethylamino)-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)propanamide;hydrochloride has a molecular weight of 336.91 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)propanamide;hydrochloride is sourced from PubChem (CID 3069966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).