4-(2,3-dihydro-1H-inden-5-yl)-N-[2-(ethylaminomethyl)phenyl]-4-oxobutanamide;hydrochloride

C22H27ClN2O2 — CID 119439099

IUPAC4-(2,3-dihydro-1H-inden-5-yl)-N-[2-(ethylaminomethyl)phenyl]-4-oxobutanamide;hydrochloride
SMILESCCNCc1ccccc1NC(=O)CCC(=O)c1ccc2c(c1)CCC2.Cl
InChIInChI=1S/C22H26N2O2.ClH/c1-2-23-15-19-6-3-4-9-20(19)24-22(26)13-12-21(25)18-11-10-16-7-5-8-17(16)14-18;/h3-4,6,9-11,14,23H,2,5,7-8,12-13,15H2,1H3,(H,24,26);1H
InChIKeyJMXNLXRYMFXCAY-UHFFFAOYSA-N
MW386.92 g/mol
LogP4.31
Rot. Bonds8

About 4-(2,3-dihydro-1H-inden-5-yl)-N-[2-(ethylaminomethyl)phenyl]-4-oxobutanamide;hydrochloride

4-(2,3-dihydro-1H-inden-5-yl)-N-[2-(ethylaminomethyl)phenyl]-4-oxobutanamide;hydrochloride (PubChem CID 119439099) has the molecular formula C22H27ClN2O2 and a molecular weight of 386.92 g/mol. Its IUPAC name is 4-(2,3-dihydro-1H-inden-5-yl)-N-[2-(ethylaminomethyl)phenyl]-4-oxobutanamide;hydrochloride.

Molecular Properties

Compound Name4-(2,3-dihydro-1H-inden-5-yl)-N-[2-(ethylaminomethyl)phenyl]-4-oxobutanamide;hydrochloride
PubChem CID119439099
Molecular FormulaC22H27ClN2O2
Molecular Weight386.92 g/mol
Exact Mass386.18
IUPAC Name4-(2,3-dihydro-1H-inden-5-yl)-N-[2-(ethylaminomethyl)phenyl]-4-oxobutanamide;hydrochloride
SMILESCCNCc1ccccc1NC(=O)CCC(=O)c1ccc2c(c1)CCC2.Cl
InChIInChI=1S/C22H26N2O2.ClH/c1-2-23-15-19-6-3-4-9-20(19)24-22(26)13-12-21(25)18-11-10-16-7-5-8-17(16)14-18;/h3-4,6,9-11,14,23H,2,5,7-8,12-13,15H2,1H3,(H,24,26);1H
InChIKeyJMXNLXRYMFXCAY-UHFFFAOYSA-N
XLogP4.31
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.92
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(ethylaminomethyl)phenyl]-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
CID 119440729
2-[2-[[4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanoyl]amino]phenyl]acetic acid
CID 119353174
N-[2-[2-(methylamino)-2-oxoethyl]phenyl]-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
CID 55924559
N-[2-(ethylaminomethyl)phenyl]-4-oxo-4-phenylbutanamide
CID 119440695
4-(2,3-dihydro-1H-inden-5-yl)-N-[2-(ethylamino)ethyl]-4-oxobutanamide;hydrochloride
CID 119505484
4-(2,3-dihydro-1H-inden-5-yl)-N-[2-(ethylamino)ethyl]-4-oxobutanamide
CID 119505485
methyl 3-[[4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanoyl]amino]-2-hydroxybenzoate
CID 56543054
N-[(2-methylphenyl)methyl]-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
CID 9104253
[2-(2-ethylanilino)-2-oxoethyl] 2,3-dihydro-1H-indene-5-carboxylate
CID 9010557
N-[2-(ethylaminomethyl)phenyl]pentanamide;hydrochloride
CID 119438958
4-(2,3-dihydro-1H-inden-5-yl)-N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-4-oxobutanamide
CID 60621736
1-(2,3-dihydro-1H-inden-5-yl)-4-phenylbutane-1,4-dione
CID 90371119

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1H-inden-5-yl)-N-[2-(ethylaminomethyl)phenyl]-4-oxobutanamide;hydrochloride?
The IUPAC name of 4-(2,3-dihydro-1H-inden-5-yl)-N-[2-(ethylaminomethyl)phenyl]-4-oxobutanamide;hydrochloride (CID 119439099) is 4-(2,3-dihydro-1H-inden-5-yl)-N-[2-(ethylaminomethyl)phenyl]-4-oxobutanamide;hydrochloride.
What is the SMILES notation for 4-(2,3-dihydro-1H-inden-5-yl)-N-[2-(ethylaminomethyl)phenyl]-4-oxobutanamide;hydrochloride?
The canonical SMILES for 4-(2,3-dihydro-1H-inden-5-yl)-N-[2-(ethylaminomethyl)phenyl]-4-oxobutanamide;hydrochloride is CCNCc1ccccc1NC(=O)CCC(=O)c1ccc2c(c1)CCC2.Cl.
What is the InChIKey of 4-(2,3-dihydro-1H-inden-5-yl)-N-[2-(ethylaminomethyl)phenyl]-4-oxobutanamide;hydrochloride?
The InChIKey is JMXNLXRYMFXCAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2.ClH/c1-2-23-15-19-6-3-4-9-20(19)24-22(26)13-12-21(25)18-11-10-16-7-5-8-17(16)14-18;/h3-4,6,9-11,14,23H,2,5,7-8,12-13,15H2,1H3,(H,24,26);1H.
What are the key properties of 4-(2,3-dihydro-1H-inden-5-yl)-N-[2-(ethylaminomethyl)phenyl]-4-oxobutanamide;hydrochloride?
4-(2,3-dihydro-1H-inden-5-yl)-N-[2-(ethylaminomethyl)phenyl]-4-oxobutanamide;hydrochloride has a molecular weight of 386.92 g/mol, XLogP of 4.31, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1H-inden-5-yl)-N-[2-(ethylaminomethyl)phenyl]-4-oxobutanamide;hydrochloride is sourced from PubChem (CID 119439099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).