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

C19H27ClN2O2 — CID 119601397

IUPACN-[2-(aminomethyl)cyclopentyl]-4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanamide;hydrochloride
SMILESCl.NCC1CCCC1NC(=O)CCC(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C19H26N2O2.ClH/c20-12-16-5-2-6-17(16)21-19(23)10-9-18(22)15-8-7-13-3-1-4-14(13)11-15;/h7-8,11,16-17H,1-6,9-10,12,20H2,(H,21,23);1H
InChIKeyWLQZAKQGKKUECW-UHFFFAOYSA-N
MW350.89 g/mol
LogP2.80
Rot. Bonds6

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

N-[2-(aminomethyl)cyclopentyl]-4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanamide;hydrochloride (PubChem CID 119601397) has the molecular formula C19H27ClN2O2 and a molecular weight of 350.89 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanamide;hydrochloride
PubChem CID119601397
Molecular FormulaC19H27ClN2O2
Molecular Weight350.89 g/mol
Exact Mass350.18
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanamide;hydrochloride
SMILESCl.NCC1CCCC1NC(=O)CCC(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C19H26N2O2.ClH/c20-12-16-5-2-6-17(16)21-19(23)10-9-18(22)15-8-7-13-3-1-4-14(13)11-15;/h7-8,11,16-17H,1-6,9-10,12,20H2,(H,21,23);1H
InChIKeyWLQZAKQGKKUECW-UHFFFAOYSA-N
XLogP2.80
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.89
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(aminomethyl)cyclohexyl]-4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanamide;hydrochloride
CID 119609792
N-[2-(aminomethyl)cyclopentyl]-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanamide;hydrochloride
CID 119602669
N-[2-(aminomethyl)cyclohexyl]-4-(4-methylphenyl)-4-oxobutanamide;hydrochloride
CID 119610943
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-(8-azabicyclo[3.2.1]octan-3-yl)-4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanamide
CID 119455927
N-[2-(hydroxymethyl)cyclopentyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 103751373
N-tert-butyl-4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanamide
CID 94282659
N-[2-(aminomethyl)cyclohexyl]-4-oxo-4-thiophen-2-ylbutanamide;hydrochloride
CID 119609161
4-(2,3-dihydro-1H-inden-5-yl)-4-oxo-N-prop-2-enylbutanamide
CID 78792080
N-cyclohexyl-4-oxo-4-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)butanamide
CID 21108450
4-[[4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoyl]amino]benzamide
CID 9441784

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]-4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanamide;hydrochloride?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanamide;hydrochloride (CID 119601397) is N-[2-(aminomethyl)cyclopentyl]-4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanamide;hydrochloride.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanamide;hydrochloride?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanamide;hydrochloride is Cl.NCC1CCCC1NC(=O)CCC(=O)c1ccc2c(c1)CCC2.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanamide;hydrochloride?
The InChIKey is WLQZAKQGKKUECW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2.ClH/c20-12-16-5-2-6-17(16)21-19(23)10-9-18(22)15-8-7-13-3-1-4-14(13)11-15;/h7-8,11,16-17H,1-6,9-10,12,20H2,(H,21,23);1H.
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanamide;hydrochloride?
N-[2-(aminomethyl)cyclopentyl]-4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanamide;hydrochloride has a molecular weight of 350.89 g/mol, XLogP of 2.80, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclopentyl]-4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanamide;hydrochloride is sourced from PubChem (CID 119601397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).