N-(2-amino-1-cyclohexylethyl)-2-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide

C20H27N3O3 — CID 119590379

IUPACN-(2-amino-1-cyclohexylethyl)-2-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide
SMILESCc1ccc2c(c1)C(=O)N(C(C)C(=O)NC(CN)C1CCCCC1)C2=O
InChIInChI=1S/C20H27N3O3/c1-12-8-9-15-16(10-12)20(26)23(19(15)25)13(2)18(24)22-17(11-21)14-6-4-3-5-7-14/h8-10,13-14,17H,3-7,11,21H2,1-2H3,(H,22,24)
InChIKeySPDWQDCVDWJMDF-UHFFFAOYSA-N
MW357.45 g/mol
LogP2.00
Rot. Bonds5

About N-(2-amino-1-cyclohexylethyl)-2-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide

N-(2-amino-1-cyclohexylethyl)-2-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide (PubChem CID 119590379) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is N-(2-amino-1-cyclohexylethyl)-2-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclohexylethyl)-2-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide
PubChem CID119590379
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC NameN-(2-amino-1-cyclohexylethyl)-2-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide
SMILESCc1ccc2c(c1)C(=O)N(C(C)C(=O)NC(CN)C1CCCCC1)C2=O
InChIInChI=1S/C20H27N3O3/c1-12-8-9-15-16(10-12)20(26)23(19(15)25)13(2)18(24)22-17(11-21)14-6-4-3-5-7-14/h8-10,13-14,17H,3-7,11,21H2,1-2H3,(H,22,24)
InChIKeySPDWQDCVDWJMDF-UHFFFAOYSA-N
XLogP2.00
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 52.00
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)acetamide;hydrochloride
CID 119589977
N-[(2S)-1-aminopropan-2-yl]-2-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide
CID 120509037
N-(2-amino-1-cyclohexylethyl)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanamide;hydrochloride
CID 119591097
N-(3-amino-2-methylpropyl)-2-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide
CID 119995908
N-(2-amino-1-cyclohexylethyl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide;hydrochloride
CID 119590492
N-(2-amino-1-cyclohexylethyl)-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylpropanamide
CID 119590006
2-[1-[3-(1-aminoethyl)piperidin-1-yl]-1-oxopropan-2-yl]-5-methylisoindole-1,3-dione
CID 119594509
N-(2-amino-1-cyclohexylethyl)-2-chloro-4-methylbenzamide
CID 106862320
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide
CID 120944416
[2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 2-(5-methyl-1,3-dioxoisoindol-2-yl)propanoate
CID 55375265
2-(5-amino-1,3-dioxoisoindol-2-yl)-N-cyclopropylpropanamide
CID 115579378
(2R)-2-(5-bromo-1,3-dioxoisoindol-2-yl)-N-(dicyclopropylmethyl)propanamide
CID 94614584

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclohexylethyl)-2-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide?
The IUPAC name of N-(2-amino-1-cyclohexylethyl)-2-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide (CID 119590379) is N-(2-amino-1-cyclohexylethyl)-2-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide.
What is the SMILES notation for N-(2-amino-1-cyclohexylethyl)-2-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide?
The canonical SMILES for N-(2-amino-1-cyclohexylethyl)-2-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide is Cc1ccc2c(c1)C(=O)N(C(C)C(=O)NC(CN)C1CCCCC1)C2=O.
What is the InChIKey of N-(2-amino-1-cyclohexylethyl)-2-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide?
The InChIKey is SPDWQDCVDWJMDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3/c1-12-8-9-15-16(10-12)20(26)23(19(15)25)13(2)18(24)22-17(11-21)14-6-4-3-5-7-14/h8-10,13-14,17H,3-7,11,21H2,1-2H3,(H,22,24).
What are the key properties of N-(2-amino-1-cyclohexylethyl)-2-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide?
N-(2-amino-1-cyclohexylethyl)-2-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide has a molecular weight of 357.45 g/mol, XLogP of 2.00, 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)propanamide is sourced from PubChem (CID 119590379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).