benzyl N-[3-(2,3-dioxo-1H-indol-7-yl)-2,3-dihydroxypropyl]carbamate

C19H18N2O6 — CID 171856702

IUPACbenzyl N-[3-(2,3-dioxo-1H-indol-7-yl)-2,3-dihydroxypropyl]carbamate
SMILESO=C(NCC(O)C(O)c1cccc2c1NC(=O)C2=O)OCc1ccccc1
InChIInChI=1S/C19H18N2O6/c22-14(9-20-19(26)27-10-11-5-2-1-3-6-11)16(23)12-7-4-8-13-15(12)21-18(25)17(13)24/h1-8,14,16,22-23H,9-10H2,(H,20,26)(H,21,24,25)
InChIKeyXOWXWAUZZCOJPM-UHFFFAOYSA-N
MW370.36 g/mol
LogP1.14
Rot. Bonds6

About benzyl N-[3-(2,3-dioxo-1H-indol-7-yl)-2,3-dihydroxypropyl]carbamate

benzyl N-[3-(2,3-dioxo-1H-indol-7-yl)-2,3-dihydroxypropyl]carbamate (PubChem CID 171856702) has the molecular formula C19H18N2O6 and a molecular weight of 370.36 g/mol. Its IUPAC name is benzyl N-[3-(2,3-dioxo-1H-indol-7-yl)-2,3-dihydroxypropyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[3-(2,3-dioxo-1H-indol-7-yl)-2,3-dihydroxypropyl]carbamate
PubChem CID171856702
Molecular FormulaC19H18N2O6
Molecular Weight370.36 g/mol
Exact Mass370.12
IUPAC Namebenzyl N-[3-(2,3-dioxo-1H-indol-7-yl)-2,3-dihydroxypropyl]carbamate
SMILESO=C(NCC(O)C(O)c1cccc2c1NC(=O)C2=O)OCc1ccccc1
InChIInChI=1S/C19H18N2O6/c22-14(9-20-19(26)27-10-11-5-2-1-3-6-11)16(23)12-7-4-8-13-15(12)21-18(25)17(13)24/h1-8,14,16,22-23H,9-10H2,(H,20,26)(H,21,24,25)
InChIKeyXOWXWAUZZCOJPM-UHFFFAOYSA-N
XLogP1.14
TPSA124.96 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.36
LogP ≤ 51.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

benzyl N-[2,3-dihydroxy-3-(2-hydroxyphenyl)propyl]carbamate
CID 171855358
benzyl N-[3-(3-chloro-2-hydroxyphenyl)-2,3-dihydroxypropyl]carbamate
CID 171857226
4-(2,3-dioxo-1H-indol-7-yl)-3,4-dihydroxybutanamide
CID 171899954
benzyl N-[2,3-dihydroxy-3-(2-methylsulfonylphenyl)propyl]carbamate
CID 171856199
benzyl N-[3-(2-formylphenyl)-2,3-dihydroxypropyl]carbamate
CID 171855539
3-[1,2-dihydroxy-3-(phenylmethoxycarbonylamino)propyl]-2-fluorobenzoic acid
CID 171856190
benzyl N-[4-(2,3-dioxo-1H-indol-7-yl)but-3-enyl]carbamate
CID 170494796
benzyl N-[3-(3-fluoro-2-formylphenyl)-2,3-dihydroxypropyl]carbamate
CID 171855844
benzyl N-[3-[2-chloro-3-(trifluoromethyl)phenyl]-2,3-dihydroxypropyl]carbamate
CID 171857175
benzyl N-[3-(2-carbamimidoylphenyl)-2,3-dihydroxypropyl]carbamate
CID 171855903
benzyl N-[3-(5-amino-2-methoxyphenyl)-2,3-dihydroxypropyl]carbamate
CID 171856050
benzyl N-[3-(1-benzofuran-3-yl)-2,3-dihydroxypropyl]carbamate
CID 171856074

Frequently Asked Questions

What is the IUPAC name of benzyl N-[3-(2,3-dioxo-1H-indol-7-yl)-2,3-dihydroxypropyl]carbamate?
The IUPAC name of benzyl N-[3-(2,3-dioxo-1H-indol-7-yl)-2,3-dihydroxypropyl]carbamate (CID 171856702) is benzyl N-[3-(2,3-dioxo-1H-indol-7-yl)-2,3-dihydroxypropyl]carbamate.
What is the SMILES notation for benzyl N-[3-(2,3-dioxo-1H-indol-7-yl)-2,3-dihydroxypropyl]carbamate?
The canonical SMILES for benzyl N-[3-(2,3-dioxo-1H-indol-7-yl)-2,3-dihydroxypropyl]carbamate is O=C(NCC(O)C(O)c1cccc2c1NC(=O)C2=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[3-(2,3-dioxo-1H-indol-7-yl)-2,3-dihydroxypropyl]carbamate?
The InChIKey is XOWXWAUZZCOJPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O6/c22-14(9-20-19(26)27-10-11-5-2-1-3-6-11)16(23)12-7-4-8-13-15(12)21-18(25)17(13)24/h1-8,14,16,22-23H,9-10H2,(H,20,26)(H,21,24,25).
What are the key properties of benzyl N-[3-(2,3-dioxo-1H-indol-7-yl)-2,3-dihydroxypropyl]carbamate?
benzyl N-[3-(2,3-dioxo-1H-indol-7-yl)-2,3-dihydroxypropyl]carbamate has a molecular weight of 370.36 g/mol, XLogP of 1.14, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[3-(2,3-dioxo-1H-indol-7-yl)-2,3-dihydroxypropyl]carbamate is sourced from PubChem (CID 171856702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).