tert-butyl N-[(1R)-2-hydroxy-1-(4-methoxy-3-phenylmethoxyphenyl)ethyl]carbamate

C21H27NO5 — CID 11428749

IUPACtert-butyl N-[(1R)-2-hydroxy-1-(4-methoxy-3-phenylmethoxyphenyl)ethyl]carbamate
SMILESCOc1ccc([C@H](CO)NC(=O)OC(C)(C)C)cc1OCc1ccccc1
InChIInChI=1S/C21H27NO5/c1-21(2,3)27-20(24)22-17(13-23)16-10-11-18(25-4)19(12-16)26-14-15-8-6-5-7-9-15/h5-12,17,23H,13-14H2,1-4H3,(H,22,24)/t17-/m0/s1
InChIKeyHZAUGQCQTSKEQB-KRWDZBQOSA-N
MW373.45 g/mol
LogP3.83
Rot. Bonds7

About tert-butyl N-[(1R)-2-hydroxy-1-(4-methoxy-3-phenylmethoxyphenyl)ethyl]carbamate

tert-butyl N-[(1R)-2-hydroxy-1-(4-methoxy-3-phenylmethoxyphenyl)ethyl]carbamate (PubChem CID 11428749) has the molecular formula C21H27NO5 and a molecular weight of 373.45 g/mol. Its IUPAC name is tert-butyl N-[(1R)-2-hydroxy-1-(4-methoxy-3-phenylmethoxyphenyl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1R)-2-hydroxy-1-(4-methoxy-3-phenylmethoxyphenyl)ethyl]carbamate
PubChem CID11428749
Molecular FormulaC21H27NO5
Molecular Weight373.45 g/mol
Exact Mass373.19
IUPAC Nametert-butyl N-[(1R)-2-hydroxy-1-(4-methoxy-3-phenylmethoxyphenyl)ethyl]carbamate
SMILESCOc1ccc([C@H](CO)NC(=O)OC(C)(C)C)cc1OCc1ccccc1
InChIInChI=1S/C21H27NO5/c1-21(2,3)27-20(24)22-17(13-23)16-10-11-18(25-4)19(12-16)26-14-15-8-6-5-7-9-15/h5-12,17,23H,13-14H2,1-4H3,(H,22,24)/t17-/m0/s1
InChIKeyHZAUGQCQTSKEQB-KRWDZBQOSA-N
XLogP3.83
TPSA77.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-3-(3,4-dimethoxyphenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 7010139
methyl (2S)-2-[[(2R)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]amino]-3-(4-methoxy-3-phenylmethoxyphenyl)propanoate
CID 154974090
4-tert-butyl-N-[[(4-tert-butylbenzoyl)amino]-(4-methoxy-3-phenylmethoxyphenyl)methyl]benzamide
CID 18890174
3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-phenylmethoxyphenyl)propanoic acid
CID 2756774
tert-butyl N-[4-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-5-methyl-1-oxohexan-2-yl]carbamate
CID 74070944
N-[(4-methoxy-3-phenylmethoxyphenyl)-[(2-methylbenzoyl)amino]methyl]-2-methylbenzamide
CID 18890163
(3R)-3-(4-methoxy-3-methylphenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 103667597
tert-butyl N-[2-formyl-1-methoxy-3-(4-methoxy-3-phenylmethoxyphenyl)propan-2-yl]carbamate
CID 123615845
tert-butyl N-[(1S)-2-hydroxy-1-phenylethyl]carbamate;tert-butyl N-[(1R)-1-phenylpropyl]carbamate;dichloromethane
CID 123744820
[acetyloxy-(4-methoxy-3-phenylmethoxyphenyl)methyl] acetate
CID 101183057
benzyl 3-[3,4-bis(phenylmethoxy)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 18627050
benzyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-phenylmethoxyphenyl)propanoate
CID 23572757

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1R)-2-hydroxy-1-(4-methoxy-3-phenylmethoxyphenyl)ethyl]carbamate?
The IUPAC name of tert-butyl N-[(1R)-2-hydroxy-1-(4-methoxy-3-phenylmethoxyphenyl)ethyl]carbamate (CID 11428749) is tert-butyl N-[(1R)-2-hydroxy-1-(4-methoxy-3-phenylmethoxyphenyl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1R)-2-hydroxy-1-(4-methoxy-3-phenylmethoxyphenyl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[(1R)-2-hydroxy-1-(4-methoxy-3-phenylmethoxyphenyl)ethyl]carbamate is COc1ccc([C@H](CO)NC(=O)OC(C)(C)C)cc1OCc1ccccc1.
What is the InChIKey of tert-butyl N-[(1R)-2-hydroxy-1-(4-methoxy-3-phenylmethoxyphenyl)ethyl]carbamate?
The InChIKey is HZAUGQCQTSKEQB-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H27NO5/c1-21(2,3)27-20(24)22-17(13-23)16-10-11-18(25-4)19(12-16)26-14-15-8-6-5-7-9-15/h5-12,17,23H,13-14H2,1-4H3,(H,22,24)/t17-/m0/s1.
What are the key properties of tert-butyl N-[(1R)-2-hydroxy-1-(4-methoxy-3-phenylmethoxyphenyl)ethyl]carbamate?
tert-butyl N-[(1R)-2-hydroxy-1-(4-methoxy-3-phenylmethoxyphenyl)ethyl]carbamate has a molecular weight of 373.45 g/mol, XLogP of 3.83, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1R)-2-hydroxy-1-(4-methoxy-3-phenylmethoxyphenyl)ethyl]carbamate is sourced from PubChem (CID 11428749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).