N-(2-amino-1-cyclohexylethyl)-2-(5-methyl-1,3-dioxoisoindol-2-yl)acetamide;hydrochloride

C19H26ClN3O3 — CID 119589977

IUPACN-(2-amino-1-cyclohexylethyl)-2-(5-methyl-1,3-dioxoisoindol-2-yl)acetamide;hydrochloride
SMILESCc1ccc2c(c1)C(=O)N(CC(=O)NC(CN)C1CCCCC1)C2=O.Cl
InChIInChI=1S/C19H25N3O3.ClH/c1-12-7-8-14-15(9-12)19(25)22(18(14)24)11-17(23)21-16(10-20)13-5-3-2-4-6-13;/h7-9,13,16H,2-6,10-11,20H2,1H3,(H,21,23);1H
InChIKeyBTZNLVLUUSASBG-UHFFFAOYSA-N
MW379.89 g/mol
LogP2.04
Rot. Bonds5

About N-(2-amino-1-cyclohexylethyl)-2-(5-methyl-1,3-dioxoisoindol-2-yl)acetamide;hydrochloride

N-(2-amino-1-cyclohexylethyl)-2-(5-methyl-1,3-dioxoisoindol-2-yl)acetamide;hydrochloride (PubChem CID 119589977) has the molecular formula C19H26ClN3O3 and a molecular weight of 379.89 g/mol. Its IUPAC name is N-(2-amino-1-cyclohexylethyl)-2-(5-methyl-1,3-dioxoisoindol-2-yl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-1-cyclohexylethyl)-2-(5-methyl-1,3-dioxoisoindol-2-yl)acetamide;hydrochloride
PubChem CID119589977
Molecular FormulaC19H26ClN3O3
Molecular Weight379.89 g/mol
Exact Mass379.17
IUPAC NameN-(2-amino-1-cyclohexylethyl)-2-(5-methyl-1,3-dioxoisoindol-2-yl)acetamide;hydrochloride
SMILESCc1ccc2c(c1)C(=O)N(CC(=O)NC(CN)C1CCCCC1)C2=O.Cl
InChIInChI=1S/C19H25N3O3.ClH/c1-12-7-8-14-15(9-12)19(25)22(18(14)24)11-17(23)21-16(10-20)13-5-3-2-4-6-13;/h7-9,13,16H,2-6,10-11,20H2,1H3,(H,21,23);1H
InChIKeyBTZNLVLUUSASBG-UHFFFAOYSA-N
XLogP2.04
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.89
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-(2-amino-1-cyclohexylethyl)-2-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide
CID 119590379
N-(2-amino-1-cyclohexylethyl)-3-(4-methylphenyl)propanamide;hydrochloride
CID 119589025
N-(2-amino-1-cyclohexylethyl)-2-(3-methylphenoxy)acetamide;hydrochloride
CID 119591056
(2R)-4-methyl-2-[[2-(5-methyl-1,3-dioxoisoindol-2-yl)acetyl]amino]pentanoic acid
CID 119364791
N-[1-(aminomethyl)cyclopentyl]-2-(5-methyl-1,3-dioxoisoindol-2-yl)acetamide
CID 119565968
N-(2-amino-1-cyclohexylethyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide;hydrochloride
CID 119591555
(2S)-2-[[2-(5-methyl-1,3-dioxoisoindol-2-yl)acetyl]amino]hexanoic acid
CID 120614308
N-(2-amino-1-cyclohexylethyl)-2-chloro-4-methylbenzamide
CID 106862320
N-(2-amino-1-cyclohexylethyl)-2-(9-oxoacridin-10-yl)acetamide;hydrochloride
CID 119590242
2-[2-[3-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]-5-methylisoindole-1,3-dione
CID 119593987
N-(2-amino-1-cyclohexylethyl)-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylpropanamide
CID 119590006
N-(2-amino-1-cyclohexylethyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
CID 119591556

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclohexylethyl)-2-(5-methyl-1,3-dioxoisoindol-2-yl)acetamide;hydrochloride?
The IUPAC name of N-(2-amino-1-cyclohexylethyl)-2-(5-methyl-1,3-dioxoisoindol-2-yl)acetamide;hydrochloride (CID 119589977) is N-(2-amino-1-cyclohexylethyl)-2-(5-methyl-1,3-dioxoisoindol-2-yl)acetamide;hydrochloride.
What is the SMILES notation for N-(2-amino-1-cyclohexylethyl)-2-(5-methyl-1,3-dioxoisoindol-2-yl)acetamide;hydrochloride?
The canonical SMILES for N-(2-amino-1-cyclohexylethyl)-2-(5-methyl-1,3-dioxoisoindol-2-yl)acetamide;hydrochloride is Cc1ccc2c(c1)C(=O)N(CC(=O)NC(CN)C1CCCCC1)C2=O.Cl.
What is the InChIKey of N-(2-amino-1-cyclohexylethyl)-2-(5-methyl-1,3-dioxoisoindol-2-yl)acetamide;hydrochloride?
The InChIKey is BTZNLVLUUSASBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3.ClH/c1-12-7-8-14-15(9-12)19(25)22(18(14)24)11-17(23)21-16(10-20)13-5-3-2-4-6-13;/h7-9,13,16H,2-6,10-11,20H2,1H3,(H,21,23);1H.
What are the key properties of N-(2-amino-1-cyclohexylethyl)-2-(5-methyl-1,3-dioxoisoindol-2-yl)acetamide;hydrochloride?
N-(2-amino-1-cyclohexylethyl)-2-(5-methyl-1,3-dioxoisoindol-2-yl)acetamide;hydrochloride has a molecular weight of 379.89 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclohexylethyl)-2-(5-methyl-1,3-dioxoisoindol-2-yl)acetamide;hydrochloride is sourced from PubChem (CID 119589977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).