benzyl N-[3-(1-benzofuran-3-yl)-2,3-dihydroxypropyl]carbamate

C19H19NO5 — CID 171856074

IUPACbenzyl N-[3-(1-benzofuran-3-yl)-2,3-dihydroxypropyl]carbamate
SMILESO=C(NCC(O)C(O)c1coc2ccccc12)OCc1ccccc1
InChIInChI=1S/C19H19NO5/c21-16(10-20-19(23)25-11-13-6-2-1-3-7-13)18(22)15-12-24-17-9-5-4-8-14(15)17/h1-9,12,16,18,21-22H,10-11H2,(H,20,23)
InChIKeyNRBJANUKJDHBII-UHFFFAOYSA-N
MW341.36 g/mol
LogP2.75
Rot. Bonds6

About benzyl N-[3-(1-benzofuran-3-yl)-2,3-dihydroxypropyl]carbamate

benzyl N-[3-(1-benzofuran-3-yl)-2,3-dihydroxypropyl]carbamate (PubChem CID 171856074) has the molecular formula C19H19NO5 and a molecular weight of 341.36 g/mol. Its IUPAC name is benzyl N-[3-(1-benzofuran-3-yl)-2,3-dihydroxypropyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[3-(1-benzofuran-3-yl)-2,3-dihydroxypropyl]carbamate
PubChem CID171856074
Molecular FormulaC19H19NO5
Molecular Weight341.36 g/mol
Exact Mass341.13
IUPAC Namebenzyl N-[3-(1-benzofuran-3-yl)-2,3-dihydroxypropyl]carbamate
SMILESO=C(NCC(O)C(O)c1coc2ccccc12)OCc1ccccc1
InChIInChI=1S/C19H19NO5/c21-16(10-20-19(23)25-11-13-6-2-1-3-7-13)18(22)15-12-24-17-9-5-4-8-14(15)17/h1-9,12,16,18,21-22H,10-11H2,(H,20,23)
InChIKeyNRBJANUKJDHBII-UHFFFAOYSA-N
XLogP2.75
TPSA91.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.36
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

benzyl N-[2,3-dihydroxy-3-(2-hydroxyphenyl)propyl]carbamate
CID 171855358
benzyl N-(2,3-dihydroxy-3-phenanthren-9-ylpropyl)carbamate
CID 171856946
benzyl N-[3-(1-aminoisoquinolin-4-yl)-2,3-dihydroxypropyl]carbamate
CID 171856679
benzyl N-[2,3-dihydroxy-3-(1-methylindol-3-yl)propyl]carbamate
CID 171857330
benzyl N-[3-(1-chloroisoquinolin-4-yl)-2,3-dihydroxypropyl]carbamate
CID 171856690
benzyl N-[2,3-dihydroxy-3-(4-methoxynaphthalen-1-yl)propyl]carbamate
CID 171856731
benzyl N-[3-(2-formylphenyl)-2,3-dihydroxypropyl]carbamate
CID 171855539
5-bromo-2-[1,2-dihydroxy-3-(phenylmethoxycarbonylamino)propyl]benzoic acid
CID 171857060
5-[1,2-dihydroxy-3-(phenylmethoxycarbonylamino)propyl]-2,4-dihydroxybenzoic acid
CID 171856457
benzyl N-[3-(2-carbamimidoylphenyl)-2,3-dihydroxypropyl]carbamate
CID 171855903
benzyl N-[2,3-dihydroxy-3-(2-methylsulfonylphenyl)propyl]carbamate
CID 171856199
benzyl N-[3-(3-chloro-2-hydroxyphenyl)-2,3-dihydroxypropyl]carbamate
CID 171857226

Frequently Asked Questions

What is the IUPAC name of benzyl N-[3-(1-benzofuran-3-yl)-2,3-dihydroxypropyl]carbamate?
The IUPAC name of benzyl N-[3-(1-benzofuran-3-yl)-2,3-dihydroxypropyl]carbamate (CID 171856074) is benzyl N-[3-(1-benzofuran-3-yl)-2,3-dihydroxypropyl]carbamate.
What is the SMILES notation for benzyl N-[3-(1-benzofuran-3-yl)-2,3-dihydroxypropyl]carbamate?
The canonical SMILES for benzyl N-[3-(1-benzofuran-3-yl)-2,3-dihydroxypropyl]carbamate is O=C(NCC(O)C(O)c1coc2ccccc12)OCc1ccccc1.
What is the InChIKey of benzyl N-[3-(1-benzofuran-3-yl)-2,3-dihydroxypropyl]carbamate?
The InChIKey is NRBJANUKJDHBII-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO5/c21-16(10-20-19(23)25-11-13-6-2-1-3-7-13)18(22)15-12-24-17-9-5-4-8-14(15)17/h1-9,12,16,18,21-22H,10-11H2,(H,20,23).
What are the key properties of benzyl N-[3-(1-benzofuran-3-yl)-2,3-dihydroxypropyl]carbamate?
benzyl N-[3-(1-benzofuran-3-yl)-2,3-dihydroxypropyl]carbamate has a molecular weight of 341.36 g/mol, XLogP of 2.75, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[3-(1-benzofuran-3-yl)-2,3-dihydroxypropyl]carbamate is sourced from PubChem (CID 171856074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).