N-(3-amino-2-methylpropyl)-2-cyclohexyl-1,3-dioxoisoindole-5-carboxamide

C19H25N3O3 — CID 119997286

IUPACN-(3-amino-2-methylpropyl)-2-cyclohexyl-1,3-dioxoisoindole-5-carboxamide
SMILESCC(CN)CNC(=O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O
InChIInChI=1S/C19H25N3O3/c1-12(10-20)11-21-17(23)13-7-8-15-16(9-13)19(25)22(18(15)24)14-5-3-2-4-6-14/h7-9,12,14H,2-6,10-11,20H2,1H3,(H,21,23)
InChIKeyFDKJSUUUUDCBGL-UHFFFAOYSA-N
MW343.43 g/mol
LogP1.94
Rot. Bonds5

About N-(3-amino-2-methylpropyl)-2-cyclohexyl-1,3-dioxoisoindole-5-carboxamide

N-(3-amino-2-methylpropyl)-2-cyclohexyl-1,3-dioxoisoindole-5-carboxamide (PubChem CID 119997286) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is N-(3-amino-2-methylpropyl)-2-cyclohexyl-1,3-dioxoisoindole-5-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2-methylpropyl)-2-cyclohexyl-1,3-dioxoisoindole-5-carboxamide
PubChem CID119997286
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC NameN-(3-amino-2-methylpropyl)-2-cyclohexyl-1,3-dioxoisoindole-5-carboxamide
SMILESCC(CN)CNC(=O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O
InChIInChI=1S/C19H25N3O3/c1-12(10-20)11-21-17(23)13-7-8-15-16(9-13)19(25)22(18(15)24)14-5-3-2-4-6-14/h7-9,12,14H,2-6,10-11,20H2,1H3,(H,21,23)
InChIKeyFDKJSUUUUDCBGL-UHFFFAOYSA-N
XLogP1.94
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.94
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

2-cyclohexyl-N-(2-hydroxypropyl)-1,3-dioxoisoindole-5-carboxamide
CID 78855304
2-cyclohexyl-N-(2-morpholin-4-ylpropyl)-1,3-dioxoisoindole-5-carboxamide
CID 55612174
N-(2-amino-2-methylpropyl)-2-cyclohexyl-1,3-dioxoisoindole-5-carboxamide;hydrochloride
CID 119627052
2-cyclohexyl-1,3-dioxo-N-[3-oxo-3-(propan-2-ylamino)propyl]isoindole-5-carboxamide
CID 55599710
2-[(2-cyclohexyl-1,3-dioxoisoindole-5-carbonyl)amino]acetic acid
CID 119171454
2-cyclohexyl-1,3-dioxo-N-(3-propan-2-yloxypropyl)isoindole-5-carboxamide
CID 34375747
N-(1-amino-2-methylpropan-2-yl)-2-cyclohexyl-1,3-dioxoisoindole-5-carboxamide
CID 119522353
2-cyclohexyl-N-[2-(3,3-dimethylbutanoylamino)ethyl]-1,3-dioxoisoindole-5-carboxamide
CID 108572001
2-cyclohexyl-1,3-dioxo-N-[(1R)-1-phenylethyl]isoindole-5-carboxamide
CID 26911738
2-cyclohexyl-1,3-dioxo-N-(pyrrolidin-2-ylmethyl)isoindole-5-carboxamide
CID 119511117
2-cyclohexyl-N-[2-[(3-fluorobenzoyl)amino]ethyl]-1,3-dioxoisoindole-5-carboxamide
CID 108540506
2-cyclohexyl-N-[2-[(2-hydroxybenzoyl)amino]ethyl]-1,3-dioxoisoindole-5-carboxamide
CID 108540023

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylpropyl)-2-cyclohexyl-1,3-dioxoisoindole-5-carboxamide?
The IUPAC name of N-(3-amino-2-methylpropyl)-2-cyclohexyl-1,3-dioxoisoindole-5-carboxamide (CID 119997286) is N-(3-amino-2-methylpropyl)-2-cyclohexyl-1,3-dioxoisoindole-5-carboxamide.
What is the SMILES notation for N-(3-amino-2-methylpropyl)-2-cyclohexyl-1,3-dioxoisoindole-5-carboxamide?
The canonical SMILES for N-(3-amino-2-methylpropyl)-2-cyclohexyl-1,3-dioxoisoindole-5-carboxamide is CC(CN)CNC(=O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O.
What is the InChIKey of N-(3-amino-2-methylpropyl)-2-cyclohexyl-1,3-dioxoisoindole-5-carboxamide?
The InChIKey is FDKJSUUUUDCBGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-12(10-20)11-21-17(23)13-7-8-15-16(9-13)19(25)22(18(15)24)14-5-3-2-4-6-14/h7-9,12,14H,2-6,10-11,20H2,1H3,(H,21,23).
What are the key properties of N-(3-amino-2-methylpropyl)-2-cyclohexyl-1,3-dioxoisoindole-5-carboxamide?
N-(3-amino-2-methylpropyl)-2-cyclohexyl-1,3-dioxoisoindole-5-carboxamide has a molecular weight of 343.43 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methylpropyl)-2-cyclohexyl-1,3-dioxoisoindole-5-carboxamide is sourced from PubChem (CID 119997286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).