benzyl N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]carbamate

C17H19NO4 — CID 14018351

IUPACbenzyl N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]carbamate
SMILESCOc1cc(CCNC(=O)OCc2ccccc2)ccc1O
InChIInChI=1S/C17H19NO4/c1-21-16-11-13(7-8-15(16)19)9-10-18-17(20)22-12-14-5-3-2-4-6-14/h2-8,11,19H,9-10,12H2,1H3,(H,18,20)
InChIKeyNNYXUYGWKGPMHG-UHFFFAOYSA-N
MW301.34 g/mol
LogP2.87
Rot. Bonds6

About benzyl N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]carbamate

benzyl N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]carbamate (PubChem CID 14018351) has the molecular formula C17H19NO4 and a molecular weight of 301.34 g/mol. Its IUPAC name is benzyl N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]carbamate
PubChem CID14018351
Molecular FormulaC17H19NO4
Molecular Weight301.34 g/mol
Exact Mass301.13
IUPAC Namebenzyl N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]carbamate
SMILESCOc1cc(CCNC(=O)OCc2ccccc2)ccc1O
InChIInChI=1S/C17H19NO4/c1-21-16-11-13(7-8-15(16)19)9-10-18-17(20)22-12-14-5-3-2-4-6-14/h2-8,11,19H,9-10,12H2,1H3,(H,18,20)
InChIKeyNNYXUYGWKGPMHG-UHFFFAOYSA-N
XLogP2.87
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4-methoxyphenyl)methyl N-(2-phenylethyl)carbamate
CID 59492005
benzyl N-[2-(4-hydroxyphenyl)ethyl]carbamate
CID 14103856
2-(3,4-dimethoxyphenyl)-N-[2-(4-hydroxy-3-phenylmethoxyphenyl)ethyl]acetamide
CID 11122675
(2S)-3-(4-hydroxy-3-methoxyphenyl)-2-(phenylmethoxycarbonylamino)propanoic acid
CID 18638341
benzyl N-[2-(4-ethylphenyl)ethyl]carbamate
CID 90974027
methyl 3-[2-(phenylmethoxycarbonylamino)ethyl]benzoate
CID 175662966
benzyl N-[2-(2-iodo-4,5-dimethoxyphenyl)ethyl]carbamate
CID 56697981
benzyl N-[(2S)-1-[2-(3,4-dimethoxyphenyl)ethylamino]-1-oxo-3-phenylpropan-2-yl]carbamate
CID 11733270
2-amino-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-2-methylpropanamide
CID 67520120
(3S)-4-[2-(3,4-dihydroxyphenyl)ethylamino]-4-oxo-3-(phenylmethoxycarbonylamino)butanoic acid
CID 54470992
benzyl N-[2-[4-[ethoxy(hydroxy)phosphoryl]oxy-3-hydroxyphenyl]ethyl]carbamate
CID 54456265
(2S)-2-hydroxy-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-2-(4-phenylphenyl)acetamide
CID 69017627

Frequently Asked Questions

What is the IUPAC name of benzyl N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]carbamate?
The IUPAC name of benzyl N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]carbamate (CID 14018351) is benzyl N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]carbamate.
What is the SMILES notation for benzyl N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]carbamate?
The canonical SMILES for benzyl N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]carbamate is COc1cc(CCNC(=O)OCc2ccccc2)ccc1O.
What is the InChIKey of benzyl N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]carbamate?
The InChIKey is NNYXUYGWKGPMHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO4/c1-21-16-11-13(7-8-15(16)19)9-10-18-17(20)22-12-14-5-3-2-4-6-14/h2-8,11,19H,9-10,12H2,1H3,(H,18,20).
What are the key properties of benzyl N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]carbamate?
benzyl N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]carbamate has a molecular weight of 301.34 g/mol, XLogP of 2.87, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]carbamate is sourced from PubChem (CID 14018351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).