tert-butyl N-[1-(1,3-dioxoisoindol-2-yl)propan-2-yl]-N-ethylcarbamate

C18H24N2O4 — CID 130871466

IUPACtert-butyl N-[1-(1,3-dioxoisoindol-2-yl)propan-2-yl]-N-ethylcarbamate
SMILESCCN(C(=O)OC(C)(C)C)C(C)CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C18H24N2O4/c1-6-19(17(23)24-18(3,4)5)12(2)11-20-15(21)13-9-7-8-10-14(13)16(20)22/h7-10,12H,6,11H2,1-5H3
InChIKeyDUMBMUJASIOAPM-UHFFFAOYSA-N
MW332.40 g/mol
LogP2.93
Rot. Bonds4

About tert-butyl N-[1-(1,3-dioxoisoindol-2-yl)propan-2-yl]-N-ethylcarbamate

tert-butyl N-[1-(1,3-dioxoisoindol-2-yl)propan-2-yl]-N-ethylcarbamate (PubChem CID 130871466) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is tert-butyl N-[1-(1,3-dioxoisoindol-2-yl)propan-2-yl]-N-ethylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(1,3-dioxoisoindol-2-yl)propan-2-yl]-N-ethylcarbamate
PubChem CID130871466
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC Nametert-butyl N-[1-(1,3-dioxoisoindol-2-yl)propan-2-yl]-N-ethylcarbamate
SMILESCCN(C(=O)OC(C)(C)C)C(C)CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C18H24N2O4/c1-6-19(17(23)24-18(3,4)5)12(2)11-20-15(21)13-9-7-8-10-14(13)16(20)22/h7-10,12H,6,11H2,1-5H3
InChIKeyDUMBMUJASIOAPM-UHFFFAOYSA-N
XLogP2.93
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[1,3-bis(1,3-dioxoisoindol-2-yl)propan-2-yloxy]-N-ethylcarbamate
CID 88538398
tert-butyl N-(1,3-dioxoisoindol-2-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 11793055
benzyl-[(2R)-1-(1,3-dioxoisoindol-2-yl)propan-2-yl]carbamic acid
CID 175156671
tert-butyl (2S)-2-amino-3-(1,3-dioxoisoindol-2-yl)propanoate;hydrochloride
CID 127255651
tert-butyl N-ethyl-N-[(2S)-1-hydroxypropan-2-yl]carbamate
CID 87174502
(2S)-2-[2-(1,3-dioxoisoindol-2-yl)oxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-methylbutanoic acid
CID 89282889
2-(2,3,3-trimethylbutyl)isoindole-1,3-dione
CID 176792858
tert-butyl N-[3-(1,3-dioxoisoindol-2-yl)-2-(methoxycarbonylamino)propyl]carbamate
CID 170234733
2-[(1,3-dioxoisoindol-2-yl)methyl]-3-methylbutanoic acid
CID 65222152
(2S)-2-[2-(1,3-dioxoisoindol-2-yl)oxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-propan-2-yloxyacetic acid
CID 163429596
tert-butyl N-[1-(1,3-dioxoisoindol-2-yl)-6-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]heptan-2-yl]carbamate
CID 174995453
[(2R)-1-(1,3-dioxoisoindol-2-yl)propan-2-yl] acetate
CID 14714940

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(1,3-dioxoisoindol-2-yl)propan-2-yl]-N-ethylcarbamate?
The IUPAC name of tert-butyl N-[1-(1,3-dioxoisoindol-2-yl)propan-2-yl]-N-ethylcarbamate (CID 130871466) is tert-butyl N-[1-(1,3-dioxoisoindol-2-yl)propan-2-yl]-N-ethylcarbamate.
What is the SMILES notation for tert-butyl N-[1-(1,3-dioxoisoindol-2-yl)propan-2-yl]-N-ethylcarbamate?
The canonical SMILES for tert-butyl N-[1-(1,3-dioxoisoindol-2-yl)propan-2-yl]-N-ethylcarbamate is CCN(C(=O)OC(C)(C)C)C(C)CN1C(=O)c2ccccc2C1=O.
What is the InChIKey of tert-butyl N-[1-(1,3-dioxoisoindol-2-yl)propan-2-yl]-N-ethylcarbamate?
The InChIKey is DUMBMUJASIOAPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4/c1-6-19(17(23)24-18(3,4)5)12(2)11-20-15(21)13-9-7-8-10-14(13)16(20)22/h7-10,12H,6,11H2,1-5H3.
What are the key properties of tert-butyl N-[1-(1,3-dioxoisoindol-2-yl)propan-2-yl]-N-ethylcarbamate?
tert-butyl N-[1-(1,3-dioxoisoindol-2-yl)propan-2-yl]-N-ethylcarbamate has a molecular weight of 332.40 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(1,3-dioxoisoindol-2-yl)propan-2-yl]-N-ethylcarbamate is sourced from PubChem (CID 130871466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).