3-(1,3-dioxoisoindol-2-yl)propyl N-(4-methoxyphenyl)carbamate

C19H18N2O5 — CID 4192304

IUPAC3-(1,3-dioxoisoindol-2-yl)propyl N-(4-methoxyphenyl)carbamate
SMILESCOc1ccc(NC(=O)OCCCN2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C19H18N2O5/c1-25-14-9-7-13(8-10-14)20-19(24)26-12-4-11-21-17(22)15-5-2-3-6-16(15)18(21)23/h2-3,5-10H,4,11-12H2,1H3,(H,20,24)
InChIKeyHSTWZLSEQLCSRJ-UHFFFAOYSA-N
MW354.36 g/mol
LogP2.93
Rot. Bonds6

About 3-(1,3-dioxoisoindol-2-yl)propyl N-(4-methoxyphenyl)carbamate

3-(1,3-dioxoisoindol-2-yl)propyl N-(4-methoxyphenyl)carbamate (PubChem CID 4192304) has the molecular formula C19H18N2O5 and a molecular weight of 354.36 g/mol. Its IUPAC name is 3-(1,3-dioxoisoindol-2-yl)propyl N-(4-methoxyphenyl)carbamate.

Molecular Properties

Compound Name3-(1,3-dioxoisoindol-2-yl)propyl N-(4-methoxyphenyl)carbamate
PubChem CID4192304
Molecular FormulaC19H18N2O5
Molecular Weight354.36 g/mol
Exact Mass354.12
IUPAC Name3-(1,3-dioxoisoindol-2-yl)propyl N-(4-methoxyphenyl)carbamate
SMILESCOc1ccc(NC(=O)OCCCN2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C19H18N2O5/c1-25-14-9-7-13(8-10-14)20-19(24)26-12-4-11-21-17(22)15-5-2-3-6-16(15)18(21)23/h2-3,5-10H,4,11-12H2,1H3,(H,20,24)
InChIKeyHSTWZLSEQLCSRJ-UHFFFAOYSA-N
XLogP2.93
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.36
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

3-phenylpropyl N-(4-methoxyphenyl)carbamate
CID 102129676
1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-3-(4-methoxyphenyl)urea
CID 19259064
3-(1,3-dioxoisoindol-2-yl)propyl 2-methoxyacetate
CID 110495069
hexadecyl N-(4-methoxyphenyl)carbamate
CID 46229876
4-(1,3-dioxoisoindol-2-yl)-N-[4-(2-methoxyphenoxy)phenyl]butanamide
CID 34168388
4-(1,3-dioxoisoindol-2-yl)butyl 2,4-dimethoxybenzoate
CID 16523429
1-[3-(1,3-dioxoisoindol-2-yl)propyl]-3-[2-(4-methoxyphenoxy)ethyl]urea
CID 108889568
2-chloroethyl N-(4-methoxyphenyl)carbamate
CID 4190237
[2-(4-methoxyanilino)-2-oxo-1-phenylethyl] 3-(1,3-dioxoisoindol-2-yl)propanoate
CID 42922369
10-(1,3-dioxoisoindol-2-yl)decyl-tris(4-methoxyphenyl)phosphanium
CID 70693782
O-[3-(1,3-dioxoisoindol-2-yl)propyl] N-methylcarbamothioate
CID 110495110
4-(1,3-dioxoisoindol-2-yl)-N-[2-[[2-(4-methoxyphenyl)acetyl]amino]ethyl]butanamide
CID 108538869

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dioxoisoindol-2-yl)propyl N-(4-methoxyphenyl)carbamate?
The IUPAC name of 3-(1,3-dioxoisoindol-2-yl)propyl N-(4-methoxyphenyl)carbamate (CID 4192304) is 3-(1,3-dioxoisoindol-2-yl)propyl N-(4-methoxyphenyl)carbamate.
What is the SMILES notation for 3-(1,3-dioxoisoindol-2-yl)propyl N-(4-methoxyphenyl)carbamate?
The canonical SMILES for 3-(1,3-dioxoisoindol-2-yl)propyl N-(4-methoxyphenyl)carbamate is COc1ccc(NC(=O)OCCCN2C(=O)c3ccccc3C2=O)cc1.
What is the InChIKey of 3-(1,3-dioxoisoindol-2-yl)propyl N-(4-methoxyphenyl)carbamate?
The InChIKey is HSTWZLSEQLCSRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O5/c1-25-14-9-7-13(8-10-14)20-19(24)26-12-4-11-21-17(22)15-5-2-3-6-16(15)18(21)23/h2-3,5-10H,4,11-12H2,1H3,(H,20,24).
What are the key properties of 3-(1,3-dioxoisoindol-2-yl)propyl N-(4-methoxyphenyl)carbamate?
3-(1,3-dioxoisoindol-2-yl)propyl N-(4-methoxyphenyl)carbamate has a molecular weight of 354.36 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dioxoisoindol-2-yl)propyl N-(4-methoxyphenyl)carbamate is sourced from PubChem (CID 4192304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).