[2-hydroxy-5-[(1S)-1-hydroxy-2-[[(2R)-1-(4-hydroxyphenyl)propan-2-yl]amino]ethyl]phenyl] carbamate

C18H22N2O5 — CID 67530908

IUPAC[2-hydroxy-5-[(1S)-1-hydroxy-2-[[(2R)-1-(4-hydroxyphenyl)propan-2-yl]amino]ethyl]phenyl] carbamate
SMILESC[C@H](Cc1ccc(O)cc1)NC[C@@H](O)c1ccc(O)c(OC(N)=O)c1
InChIInChI=1S/C18H22N2O5/c1-11(8-12-2-5-14(21)6-3-12)20-10-16(23)13-4-7-15(22)17(9-13)25-18(19)24/h2-7,9,11,16,20-23H,8,10H2,1H3,(H2,19,24)/t11-,16-/m1/s1
InChIKeyWNOONTBKDRYIMF-BDJLRTHQSA-N
MW346.38 g/mol
LogP1.81
Rot. Bonds7

About [2-hydroxy-5-[(1S)-1-hydroxy-2-[[(2R)-1-(4-hydroxyphenyl)propan-2-yl]amino]ethyl]phenyl] carbamate

[2-hydroxy-5-[(1S)-1-hydroxy-2-[[(2R)-1-(4-hydroxyphenyl)propan-2-yl]amino]ethyl]phenyl] carbamate (PubChem CID 67530908) has the molecular formula C18H22N2O5 and a molecular weight of 346.38 g/mol. Its IUPAC name is [2-hydroxy-5-[(1S)-1-hydroxy-2-[[(2R)-1-(4-hydroxyphenyl)propan-2-yl]amino]ethyl]phenyl] carbamate.

Molecular Properties

Compound Name[2-hydroxy-5-[(1S)-1-hydroxy-2-[[(2R)-1-(4-hydroxyphenyl)propan-2-yl]amino]ethyl]phenyl] carbamate
PubChem CID67530908
Molecular FormulaC18H22N2O5
Molecular Weight346.38 g/mol
Exact Mass346.15
IUPAC Name[2-hydroxy-5-[(1S)-1-hydroxy-2-[[(2R)-1-(4-hydroxyphenyl)propan-2-yl]amino]ethyl]phenyl] carbamate
SMILESC[C@H](Cc1ccc(O)cc1)NC[C@@H](O)c1ccc(O)c(OC(N)=O)c1
InChIInChI=1S/C18H22N2O5/c1-11(8-12-2-5-14(21)6-3-12)20-10-16(23)13-4-7-15(22)17(9-13)25-18(19)24/h2-7,9,11,16,20-23H,8,10H2,1H3,(H2,19,24)/t11-,16-/m1/s1
InChIKeyWNOONTBKDRYIMF-BDJLRTHQSA-N
XLogP1.81
TPSA125.04 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 51.81
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Analyze [2-hydroxy-5-[(1S)-1-hydroxy-2-[[(2R)-1-(4-hydroxyphenyl)propan-2-yl]amino]ethyl]phenyl] 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

4-[1-hydroxy-2-[1-(4-hydroxyphenyl)propan-2-ylamino]ethyl]-2-(hydroxymethyl)phenol
CID 165341747
methyl 2-[4-[(2R)-2-[[(2R)-2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]amino]propyl]phenyl]acetate
CID 58959795
2-hydroxy-3-[1-(4-hydroxyphenyl)propan-2-ylamino]propanamide
CID 106170771
5-[1-hydroxy-2-[1-(4-hydroxyphenyl)propan-2-ylamino]ethyl]benzene-1,3-diol;5-[1-hydroxy-2-(propan-2-ylamino)ethyl]benzene-1,3-diol
CID 90002784
5-[2-[1-(4-aminophenyl)propan-2-ylamino]-1-hydroxyethyl]benzene-1,3-diol
CID 67537362
4-[2-[[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]amino]propyl]phenol
CID 70485756
2-[4-[(2R)-2-[[(2S)-2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]amino]propyl]phenyl]-N-[(2-hydroxyphenyl)methyl]acetamide
CID 68976805
4-[3-[[2-hydroxy-2-(4-hydroxyphenyl)ethyl]amino]butyl]phenol;5-[1-hydroxy-2-[1-(4-hydroxyphenyl)propan-2-ylamino]ethyl]benzene-1,3-diol
CID 67859728
5-[(1S)-2-[[(2S)-1-(4-aminophenyl)propan-2-yl]amino]-1-hydroxyethyl]benzene-1,3-diol;but-2-enedioic acid
CID 67537373
5-[1-hydroxy-2-[1-(4-hydroxyphenyl)propan-2-ylamino]ethyl]benzene-1,3-diol;4-[1-hydroxy-2-(propan-2-ylamino)butyl]benzene-1,2-diol
CID 69278950
5-hydroxy-2-[[4-[2-[[2-hydroxy-2-(4-hydroxyphenyl)ethyl]amino]propyl]phenoxy]methyl]pyran-4-one
CID 19874576
5-[2-(tert-butylamino)-1-hydroxyethyl]benzene-1,3-diol;5-[1-hydroxy-2-[1-(4-hydroxyphenyl)propan-2-ylamino]ethyl]benzene-1,3-diol
CID 67929030

Frequently Asked Questions

What is the IUPAC name of [2-hydroxy-5-[(1S)-1-hydroxy-2-[[(2R)-1-(4-hydroxyphenyl)propan-2-yl]amino]ethyl]phenyl] carbamate?
The IUPAC name of [2-hydroxy-5-[(1S)-1-hydroxy-2-[[(2R)-1-(4-hydroxyphenyl)propan-2-yl]amino]ethyl]phenyl] carbamate (CID 67530908) is [2-hydroxy-5-[(1S)-1-hydroxy-2-[[(2R)-1-(4-hydroxyphenyl)propan-2-yl]amino]ethyl]phenyl] carbamate.
What is the SMILES notation for [2-hydroxy-5-[(1S)-1-hydroxy-2-[[(2R)-1-(4-hydroxyphenyl)propan-2-yl]amino]ethyl]phenyl] carbamate?
The canonical SMILES for [2-hydroxy-5-[(1S)-1-hydroxy-2-[[(2R)-1-(4-hydroxyphenyl)propan-2-yl]amino]ethyl]phenyl] carbamate is C[C@H](Cc1ccc(O)cc1)NC[C@@H](O)c1ccc(O)c(OC(N)=O)c1.
What is the InChIKey of [2-hydroxy-5-[(1S)-1-hydroxy-2-[[(2R)-1-(4-hydroxyphenyl)propan-2-yl]amino]ethyl]phenyl] carbamate?
The InChIKey is WNOONTBKDRYIMF-BDJLRTHQSA-N. The full InChI is InChI=1S/C18H22N2O5/c1-11(8-12-2-5-14(21)6-3-12)20-10-16(23)13-4-7-15(22)17(9-13)25-18(19)24/h2-7,9,11,16,20-23H,8,10H2,1H3,(H2,19,24)/t11-,16-/m1/s1.
What are the key properties of [2-hydroxy-5-[(1S)-1-hydroxy-2-[[(2R)-1-(4-hydroxyphenyl)propan-2-yl]amino]ethyl]phenyl] carbamate?
[2-hydroxy-5-[(1S)-1-hydroxy-2-[[(2R)-1-(4-hydroxyphenyl)propan-2-yl]amino]ethyl]phenyl] carbamate has a molecular weight of 346.38 g/mol, XLogP of 1.81, 7 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-hydroxy-5-[(1S)-1-hydroxy-2-[[(2R)-1-(4-hydroxyphenyl)propan-2-yl]amino]ethyl]phenyl] carbamate is sourced from PubChem (CID 67530908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).