N-[2-(cyclopropanecarbonylamino)ethyl]-2-(2-methylpropyl)-1,3-dioxoisoindole-5-carboxamide

C19H23N3O4 — CID 108540249

IUPACN-[2-(cyclopropanecarbonylamino)ethyl]-2-(2-methylpropyl)-1,3-dioxoisoindole-5-carboxamide
SMILESCC(C)CN1C(=O)c2ccc(C(=O)NCCNC(=O)C3CC3)cc2C1=O
InChIInChI=1S/C19H23N3O4/c1-11(2)10-22-18(25)14-6-5-13(9-15(14)19(22)26)17(24)21-8-7-20-16(23)12-3-4-12/h5-6,9,11-12H,3-4,7-8,10H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyBAYOERKLLWDFRE-UHFFFAOYSA-N
MW357.41 g/mol
LogP1.19
Rot. Bonds7

About N-[2-(cyclopropanecarbonylamino)ethyl]-2-(2-methylpropyl)-1,3-dioxoisoindole-5-carboxamide

N-[2-(cyclopropanecarbonylamino)ethyl]-2-(2-methylpropyl)-1,3-dioxoisoindole-5-carboxamide (PubChem CID 108540249) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is N-[2-(cyclopropanecarbonylamino)ethyl]-2-(2-methylpropyl)-1,3-dioxoisoindole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclopropanecarbonylamino)ethyl]-2-(2-methylpropyl)-1,3-dioxoisoindole-5-carboxamide
PubChem CID108540249
Molecular FormulaC19H23N3O4
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC NameN-[2-(cyclopropanecarbonylamino)ethyl]-2-(2-methylpropyl)-1,3-dioxoisoindole-5-carboxamide
SMILESCC(C)CN1C(=O)c2ccc(C(=O)NCCNC(=O)C3CC3)cc2C1=O
InChIInChI=1S/C19H23N3O4/c1-11(2)10-22-18(25)14-6-5-13(9-15(14)19(22)26)17(24)21-8-7-20-16(23)12-3-4-12/h5-6,9,11-12H,3-4,7-8,10H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyBAYOERKLLWDFRE-UHFFFAOYSA-N
XLogP1.19
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(1-acetylpiperidin-4-yl)-2-(2-methylpropyl)-1,3-dioxoisoindole-5-carboxamide
CID 108560251
2-(2-methylpropyl)-1,3-dioxo-N-[2-[[(E)-3-phenylprop-2-enoyl]amino]ethyl]isoindole-5-carboxamide
CID 108571808
N-[2-(cyclohexanecarbonylamino)ethyl]-1,3-dioxo-2-(2-phenylethyl)isoindole-5-carboxamide
CID 55805700
N-tert-butyl-2-(2-methylpropyl)-1,3-dioxoisoindole-5-carboxamide
CID 9320739
N-[(2-chlorophenyl)methyl]-2-(2-methylpropyl)-1,3-dioxoisoindole-5-carboxamide
CID 9321369
N-[2-(methylamino)ethyl]-1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carboxamide
CID 119501013
N-[2-(cyclohexanecarbonylamino)ethyl]-1,1,3-trioxo-2-propan-2-yl-1,2-benzothiazole-6-carboxamide
CID 55854787
tert-butyl N-[3-[4-[[[2-(2-methylpropyl)-1,3-dioxoisoindole-5-carbonyl]amino]methyl]piperidin-1-yl]-3-oxopropyl]carbamate
CID 108919268
N-[2-(methylamino)ethyl]-1,3-dioxo-2-(oxolan-2-ylmethyl)isoindole-5-carboxamide;hydrochloride
CID 119501012
N-[1,3-dioxo-2-(oxolan-2-ylmethyl)isoindol-5-yl]-2-(2-methylpropyl)-1,3-dioxoisoindole-5-carboxamide
CID 17362321
2-butyl-N-(3-methylbutyl)-1,3-dioxoisoindole-5-carboxamide
CID 24538597
N-[1-[2-(2-methylpropyl)-1,3-dioxoisoindole-5-carbonyl]piperidin-4-yl]pyridine-4-carboxamide
CID 108556866

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopropanecarbonylamino)ethyl]-2-(2-methylpropyl)-1,3-dioxoisoindole-5-carboxamide?
The IUPAC name of N-[2-(cyclopropanecarbonylamino)ethyl]-2-(2-methylpropyl)-1,3-dioxoisoindole-5-carboxamide (CID 108540249) is N-[2-(cyclopropanecarbonylamino)ethyl]-2-(2-methylpropyl)-1,3-dioxoisoindole-5-carboxamide.
What is the SMILES notation for N-[2-(cyclopropanecarbonylamino)ethyl]-2-(2-methylpropyl)-1,3-dioxoisoindole-5-carboxamide?
The canonical SMILES for N-[2-(cyclopropanecarbonylamino)ethyl]-2-(2-methylpropyl)-1,3-dioxoisoindole-5-carboxamide is CC(C)CN1C(=O)c2ccc(C(=O)NCCNC(=O)C3CC3)cc2C1=O.
What is the InChIKey of N-[2-(cyclopropanecarbonylamino)ethyl]-2-(2-methylpropyl)-1,3-dioxoisoindole-5-carboxamide?
The InChIKey is BAYOERKLLWDFRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4/c1-11(2)10-22-18(25)14-6-5-13(9-15(14)19(22)26)17(24)21-8-7-20-16(23)12-3-4-12/h5-6,9,11-12H,3-4,7-8,10H2,1-2H3,(H,20,23)(H,21,24).
What are the key properties of N-[2-(cyclopropanecarbonylamino)ethyl]-2-(2-methylpropyl)-1,3-dioxoisoindole-5-carboxamide?
N-[2-(cyclopropanecarbonylamino)ethyl]-2-(2-methylpropyl)-1,3-dioxoisoindole-5-carboxamide has a molecular weight of 357.41 g/mol, XLogP of 1.19, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopropanecarbonylamino)ethyl]-2-(2-methylpropyl)-1,3-dioxoisoindole-5-carboxamide is sourced from PubChem (CID 108540249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).