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

C20H23NO6 — CID 171856655

IUPACbenzyl N-[3-[3-(1,3-dioxolan-2-yl)phenyl]-2,3-dihydroxypropyl]carbamate
SMILESO=C(NCC(O)C(O)c1cccc(C2OCCO2)c1)OCc1ccccc1
InChIInChI=1S/C20H23NO6/c22-17(12-21-20(24)27-13-14-5-2-1-3-6-14)18(23)15-7-4-8-16(11-15)19-25-9-10-26-19/h1-8,11,17-19,22-23H,9-10,12-13H2,(H,21,24)
InChIKeyCLNNYUQOBICKOS-UHFFFAOYSA-N
MW373.41 g/mol
LogP2.05
Rot. Bonds7

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

benzyl N-[3-[3-(1,3-dioxolan-2-yl)phenyl]-2,3-dihydroxypropyl]carbamate (PubChem CID 171856655) has the molecular formula C20H23NO6 and a molecular weight of 373.41 g/mol. Its IUPAC name is benzyl N-[3-[3-(1,3-dioxolan-2-yl)phenyl]-2,3-dihydroxypropyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[3-[3-(1,3-dioxolan-2-yl)phenyl]-2,3-dihydroxypropyl]carbamate
PubChem CID171856655
Molecular FormulaC20H23NO6
Molecular Weight373.41 g/mol
Exact Mass373.15
IUPAC Namebenzyl N-[3-[3-(1,3-dioxolan-2-yl)phenyl]-2,3-dihydroxypropyl]carbamate
SMILESO=C(NCC(O)C(O)c1cccc(C2OCCO2)c1)OCc1ccccc1
InChIInChI=1S/C20H23NO6/c22-17(12-21-20(24)27-13-14-5-2-1-3-6-14)18(23)15-7-4-8-16(11-15)19-25-9-10-26-19/h1-8,11,17-19,22-23H,9-10,12-13H2,(H,21,24)
InChIKeyCLNNYUQOBICKOS-UHFFFAOYSA-N
XLogP2.05
TPSA97.25 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze benzyl N-[3-[3-(1,3-dioxolan-2-yl)phenyl]-2,3-dihydroxypropyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzyl N-[2,3-dihydroxy-3-(3-methylphenyl)propyl]carbamate
CID 171855346
benzyl N-[3-[3-(chloromethyl)phenyl]-2,3-dihydroxypropyl]carbamate
CID 171855447
benzyl N-[3-(3-anilinophenyl)-2,3-dihydroxypropyl]carbamate
CID 171856903
benzyl N-[2,3-dihydroxy-3-(3-phenylmethoxyphenyl)propyl]carbamate
CID 171856933
benzyl N-[3-[3-(carbamothioylamino)phenyl]-2,3-dihydroxypropyl]carbamate
CID 171856289
benzyl N-[2,3-dihydroxy-3-(3-oxo-1,2-dihydroisoindol-5-yl)propyl]carbamate
CID 171856157
benzyl N-[2,3-dihydroxy-3-(3-oxo-4H-1,4-benzoxazin-6-yl)propyl]carbamate
CID 171856705
benzyl N-[2,3-dihydroxy-3-(1-methylpyrazol-4-yl)propyl]carbamate
CID 171855323
benzyl N-[3-[4-chloro-3-(chloromethyl)phenyl]-2,3-dihydroxypropyl]carbamate
CID 171855763
2-[5-[1,2-dihydroxy-3-(phenylmethoxycarbonylamino)propyl]-2-fluorophenyl]acetic acid
CID 171856460
benzyl N-[3-(4-hydrazinylphenyl)-2,3-dihydroxypropyl]carbamate
CID 171855602
benzyl N-[3-(3-formyl-4-hydroxyphenyl)-2,3-dihydroxypropyl]carbamate
CID 171855779

Frequently Asked Questions

What is the IUPAC name of benzyl N-[3-[3-(1,3-dioxolan-2-yl)phenyl]-2,3-dihydroxypropyl]carbamate?
The IUPAC name of benzyl N-[3-[3-(1,3-dioxolan-2-yl)phenyl]-2,3-dihydroxypropyl]carbamate (CID 171856655) is benzyl N-[3-[3-(1,3-dioxolan-2-yl)phenyl]-2,3-dihydroxypropyl]carbamate.
What is the SMILES notation for benzyl N-[3-[3-(1,3-dioxolan-2-yl)phenyl]-2,3-dihydroxypropyl]carbamate?
The canonical SMILES for benzyl N-[3-[3-(1,3-dioxolan-2-yl)phenyl]-2,3-dihydroxypropyl]carbamate is O=C(NCC(O)C(O)c1cccc(C2OCCO2)c1)OCc1ccccc1.
What is the InChIKey of benzyl N-[3-[3-(1,3-dioxolan-2-yl)phenyl]-2,3-dihydroxypropyl]carbamate?
The InChIKey is CLNNYUQOBICKOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO6/c22-17(12-21-20(24)27-13-14-5-2-1-3-6-14)18(23)15-7-4-8-16(11-15)19-25-9-10-26-19/h1-8,11,17-19,22-23H,9-10,12-13H2,(H,21,24).
What are the key properties of benzyl N-[3-[3-(1,3-dioxolan-2-yl)phenyl]-2,3-dihydroxypropyl]carbamate?
benzyl N-[3-[3-(1,3-dioxolan-2-yl)phenyl]-2,3-dihydroxypropyl]carbamate has a molecular weight of 373.41 g/mol, XLogP of 2.05, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[3-[3-(1,3-dioxolan-2-yl)phenyl]-2,3-dihydroxypropyl]carbamate is sourced from PubChem (CID 171856655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).