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

C20H29ClN2O2 — CID 119609792

IUPACN-[2-(aminomethyl)cyclohexyl]-4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanamide;hydrochloride
SMILESCl.NCC1CCCCC1NC(=O)CCC(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C20H28N2O2.ClH/c21-13-17-4-1-2-7-18(17)22-20(24)11-10-19(23)16-9-8-14-5-3-6-15(14)12-16;/h8-9,12,17-18H,1-7,10-11,13,21H2,(H,22,24);1H
InChIKeyHGVODAFAEIGVIK-UHFFFAOYSA-N
MW364.92 g/mol
LogP3.19
Rot. Bonds6

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

N-[2-(aminomethyl)cyclohexyl]-4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanamide;hydrochloride (PubChem CID 119609792) has the molecular formula C20H29ClN2O2 and a molecular weight of 364.92 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclohexyl]-4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclohexyl]-4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanamide;hydrochloride
PubChem CID119609792
Molecular FormulaC20H29ClN2O2
Molecular Weight364.92 g/mol
Exact Mass364.19
IUPAC NameN-[2-(aminomethyl)cyclohexyl]-4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanamide;hydrochloride
SMILESCl.NCC1CCCCC1NC(=O)CCC(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C20H28N2O2.ClH/c21-13-17-4-1-2-7-18(17)22-20(24)11-10-19(23)16-9-8-14-5-3-6-15(14)12-16;/h8-9,12,17-18H,1-7,10-11,13,21H2,(H,22,24);1H
InChIKeyHGVODAFAEIGVIK-UHFFFAOYSA-N
XLogP3.19
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.92
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[2-(aminomethyl)cyclohexyl]-4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanamide;hydrochloride with MolForge

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Related Compounds

N-[2-(aminomethyl)cyclopentyl]-4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanamide;hydrochloride
CID 119601397
N-[2-(aminomethyl)cyclohexyl]-4-(4-methylphenyl)-4-oxobutanamide;hydrochloride
CID 119610943
N-[2-(aminomethyl)cyclopentyl]-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanamide;hydrochloride
CID 119602669
N-[2-(aminomethyl)cyclopentyl]-4-(4-ethylphenyl)-4-oxobutanamide
CID 119602045
4-oxo-N-piperidin-4-yl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide;hydrochloride
CID 119390143
N-[2-(aminomethyl)cyclohexyl]-4-oxo-4-thiophen-2-ylbutanamide;hydrochloride
CID 119609161
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanamide
CID 119455927
N-cyclohexyl-4-oxo-4-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)butanamide
CID 21108450
N-tert-butyl-4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanamide
CID 94282659
4-(2,3-dihydro-1H-inden-5-yl)-4-oxo-N-prop-2-enylbutanamide
CID 78792080
N-[2-(aminomethyl)cyclohexyl]-4-(5-bromo-2-methoxyphenyl)-4-oxobutanamide;hydrochloride
CID 119612214
N-[2-(hydroxymethyl)cyclopentyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 103751373

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclohexyl]-4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanamide;hydrochloride?
The IUPAC name of N-[2-(aminomethyl)cyclohexyl]-4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanamide;hydrochloride (CID 119609792) is N-[2-(aminomethyl)cyclohexyl]-4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanamide;hydrochloride.
What is the SMILES notation for N-[2-(aminomethyl)cyclohexyl]-4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanamide;hydrochloride?
The canonical SMILES for N-[2-(aminomethyl)cyclohexyl]-4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanamide;hydrochloride is Cl.NCC1CCCCC1NC(=O)CCC(=O)c1ccc2c(c1)CCC2.
What is the InChIKey of N-[2-(aminomethyl)cyclohexyl]-4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanamide;hydrochloride?
The InChIKey is HGVODAFAEIGVIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O2.ClH/c21-13-17-4-1-2-7-18(17)22-20(24)11-10-19(23)16-9-8-14-5-3-6-15(14)12-16;/h8-9,12,17-18H,1-7,10-11,13,21H2,(H,22,24);1H.
What are the key properties of N-[2-(aminomethyl)cyclohexyl]-4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanamide;hydrochloride?
N-[2-(aminomethyl)cyclohexyl]-4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanamide;hydrochloride has a molecular weight of 364.92 g/mol, XLogP of 3.19, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclohexyl]-4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanamide;hydrochloride is sourced from PubChem (CID 119609792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).