benzyl N-[(2R,3R)-2-hydroxy-3-(4-methoxyphenoxy)-2-methylbutyl]carbamate

C20H25NO5 — CID 139247207

IUPACbenzyl N-[(2R,3R)-2-hydroxy-3-(4-methoxyphenoxy)-2-methylbutyl]carbamate
SMILESCOc1ccc(O[C@H](C)[C@](C)(O)CNC(=O)OCc2ccccc2)cc1
InChIInChI=1S/C20H25NO5/c1-15(26-18-11-9-17(24-3)10-12-18)20(2,23)14-21-19(22)25-13-16-7-5-4-6-8-16/h4-12,15,23H,13-14H2,1-3H3,(H,21,22)/t15-,20-/m1/s1
InChIKeyMPJPZRDEHPJMRT-FOIQADDNSA-N
MW359.42 g/mol
LogP3.14
Rot. Bonds8

About benzyl N-[(2R,3R)-2-hydroxy-3-(4-methoxyphenoxy)-2-methylbutyl]carbamate

benzyl N-[(2R,3R)-2-hydroxy-3-(4-methoxyphenoxy)-2-methylbutyl]carbamate (PubChem CID 139247207) has the molecular formula C20H25NO5 and a molecular weight of 359.42 g/mol. Its IUPAC name is benzyl N-[(2R,3R)-2-hydroxy-3-(4-methoxyphenoxy)-2-methylbutyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(2R,3R)-2-hydroxy-3-(4-methoxyphenoxy)-2-methylbutyl]carbamate
PubChem CID139247207
Molecular FormulaC20H25NO5
Molecular Weight359.42 g/mol
Exact Mass359.17
IUPAC Namebenzyl N-[(2R,3R)-2-hydroxy-3-(4-methoxyphenoxy)-2-methylbutyl]carbamate
SMILESCOc1ccc(O[C@H](C)[C@](C)(O)CNC(=O)OCc2ccccc2)cc1
InChIInChI=1S/C20H25NO5/c1-15(26-18-11-9-17(24-3)10-12-18)20(2,23)14-21-19(22)25-13-16-7-5-4-6-8-16/h4-12,15,23H,13-14H2,1-3H3,(H,21,22)/t15-,20-/m1/s1
InChIKeyMPJPZRDEHPJMRT-FOIQADDNSA-N
XLogP3.14
TPSA77.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.42
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

benzyl N-(2,2-dimethylpropyl)carbamate
CID 10846637
(4-methoxyphenyl)methyl N-(2-phenylethyl)carbamate
CID 59492005
methyl 2,2-dimethyl-3-(phenylmethoxycarbonylamino)propanoate
CID 15042555
benzyl N-(3-amino-2,2-dimethylpropyl)carbamate
CID 5001228
benzyl N-[2-(4-bromophenyl)-2-hydroxypropyl]carbamate
CID 110291658
benzyl N-(2-ethyl-2-hydroxybutyl)carbamate
CID 65112360
benzyl N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)carbamate
CID 103835599
benzyl N-[2-(4-methoxyanilino)-2-oxoethyl]carbamate
CID 60596184
(2S,3R)-3-(4-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(phenylmethoxycarbonylamino)propanoic acid;(2R,3S)-3-(4-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(phenylmethoxycarbonylamino)propanoic acid
CID 159273376
(2S)-3-methyl-3-phenyl-2-(phenylmethoxycarbonylaminomethyl)butanoic acid
CID 156758866
benzyl N-[(4R)-4-amino-5-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]-5-oxopentyl]carbamate;hydrochloride
CID 131722023
benzyl N-[(2S)-2-aminopropyl]carbamate
CID 45072682

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(2R,3R)-2-hydroxy-3-(4-methoxyphenoxy)-2-methylbutyl]carbamate?
The IUPAC name of benzyl N-[(2R,3R)-2-hydroxy-3-(4-methoxyphenoxy)-2-methylbutyl]carbamate (CID 139247207) is benzyl N-[(2R,3R)-2-hydroxy-3-(4-methoxyphenoxy)-2-methylbutyl]carbamate.
What is the SMILES notation for benzyl N-[(2R,3R)-2-hydroxy-3-(4-methoxyphenoxy)-2-methylbutyl]carbamate?
The canonical SMILES for benzyl N-[(2R,3R)-2-hydroxy-3-(4-methoxyphenoxy)-2-methylbutyl]carbamate is COc1ccc(O[C@H](C)[C@](C)(O)CNC(=O)OCc2ccccc2)cc1.
What is the InChIKey of benzyl N-[(2R,3R)-2-hydroxy-3-(4-methoxyphenoxy)-2-methylbutyl]carbamate?
The InChIKey is MPJPZRDEHPJMRT-FOIQADDNSA-N. The full InChI is InChI=1S/C20H25NO5/c1-15(26-18-11-9-17(24-3)10-12-18)20(2,23)14-21-19(22)25-13-16-7-5-4-6-8-16/h4-12,15,23H,13-14H2,1-3H3,(H,21,22)/t15-,20-/m1/s1.
What are the key properties of benzyl N-[(2R,3R)-2-hydroxy-3-(4-methoxyphenoxy)-2-methylbutyl]carbamate?
benzyl N-[(2R,3R)-2-hydroxy-3-(4-methoxyphenoxy)-2-methylbutyl]carbamate has a molecular weight of 359.42 g/mol, XLogP of 3.14, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(2R,3R)-2-hydroxy-3-(4-methoxyphenoxy)-2-methylbutyl]carbamate is sourced from PubChem (CID 139247207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).