benzyl N-[3-(3-ethoxy-4-methoxyphenyl)-2,3-dihydroxypropyl]carbamate

C20H25NO6 — CID 171857173

IUPACbenzyl N-[3-(3-ethoxy-4-methoxyphenyl)-2,3-dihydroxypropyl]carbamate
SMILESCCOc1cc(C(O)C(O)CNC(=O)OCc2ccccc2)ccc1OC
InChIInChI=1S/C20H25NO6/c1-3-26-18-11-15(9-10-17(18)25-2)19(23)16(22)12-21-20(24)27-13-14-7-5-4-6-8-14/h4-11,16,19,22-23H,3,12-13H2,1-2H3,(H,21,24)
InChIKeyAZOMDNNCSDNQSE-UHFFFAOYSA-N
MW375.42 g/mol
LogP2.41
Rot. Bonds9

About benzyl N-[3-(3-ethoxy-4-methoxyphenyl)-2,3-dihydroxypropyl]carbamate

benzyl N-[3-(3-ethoxy-4-methoxyphenyl)-2,3-dihydroxypropyl]carbamate (PubChem CID 171857173) has the molecular formula C20H25NO6 and a molecular weight of 375.42 g/mol. Its IUPAC name is benzyl N-[3-(3-ethoxy-4-methoxyphenyl)-2,3-dihydroxypropyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[3-(3-ethoxy-4-methoxyphenyl)-2,3-dihydroxypropyl]carbamate
PubChem CID171857173
Molecular FormulaC20H25NO6
Molecular Weight375.42 g/mol
Exact Mass375.17
IUPAC Namebenzyl N-[3-(3-ethoxy-4-methoxyphenyl)-2,3-dihydroxypropyl]carbamate
SMILESCCOc1cc(C(O)C(O)CNC(=O)OCc2ccccc2)ccc1OC
InChIInChI=1S/C20H25NO6/c1-3-26-18-11-15(9-10-17(18)25-2)19(23)16(22)12-21-20(24)27-13-14-7-5-4-6-8-14/h4-11,16,19,22-23H,3,12-13H2,1-2H3,(H,21,24)
InChIKeyAZOMDNNCSDNQSE-UHFFFAOYSA-N
XLogP2.41
TPSA97.25 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.42
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-[1,2-dihydroxy-3-(phenylmethoxycarbonylamino)propyl]-2-methoxybenzoic acid
CID 171856533
benzyl N-[3-(4-fluoro-3-methoxyphenyl)-2,3-dihydroxypropyl]carbamate
CID 171855820
benzyl N-[2,3-dihydroxy-3-(3,4,5-trimethoxyphenyl)propyl]carbamate
CID 171856816
benzyl N-[2,3-dihydroxy-3-[4-methoxy-3-(trifluoromethyl)phenyl]propyl]carbamate
CID 171856792
benzyl N-[3-(5-amino-2-methoxyphenyl)-2,3-dihydroxypropyl]carbamate
CID 171856050
benzyl N-[2,3-dihydroxy-3-(4-methoxynaphthalen-1-yl)propyl]carbamate
CID 171856731
1-(3-ethoxy-4-phenylmethoxyphenyl)-3-(methylamino)propane-1,2-diol
CID 171859110
methyl 3-(3,4-dimethoxyphenyl)-3-hydroxy-2-(phenylmethoxycarbonylamino)propanoate
CID 73319978
1-(3-ethoxy-4-methoxyphenyl)-3-(methylamino)propane-1,2-diol
CID 171859184
benzyl N-[2,3-dihydroxy-3-(3-methylphenyl)propyl]carbamate
CID 171855346
2-[5-[1,2-dihydroxy-4-(phenylmethoxycarbonylamino)butyl]-2-methoxyphenyl]acetic acid
CID 171889311
benzyl N-[3-(5-cyano-2-methoxyphenyl)-2,3-dihydroxypropyl]carbamate
CID 171856412

Frequently Asked Questions

What is the IUPAC name of benzyl N-[3-(3-ethoxy-4-methoxyphenyl)-2,3-dihydroxypropyl]carbamate?
The IUPAC name of benzyl N-[3-(3-ethoxy-4-methoxyphenyl)-2,3-dihydroxypropyl]carbamate (CID 171857173) is benzyl N-[3-(3-ethoxy-4-methoxyphenyl)-2,3-dihydroxypropyl]carbamate.
What is the SMILES notation for benzyl N-[3-(3-ethoxy-4-methoxyphenyl)-2,3-dihydroxypropyl]carbamate?
The canonical SMILES for benzyl N-[3-(3-ethoxy-4-methoxyphenyl)-2,3-dihydroxypropyl]carbamate is CCOc1cc(C(O)C(O)CNC(=O)OCc2ccccc2)ccc1OC.
What is the InChIKey of benzyl N-[3-(3-ethoxy-4-methoxyphenyl)-2,3-dihydroxypropyl]carbamate?
The InChIKey is AZOMDNNCSDNQSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO6/c1-3-26-18-11-15(9-10-17(18)25-2)19(23)16(22)12-21-20(24)27-13-14-7-5-4-6-8-14/h4-11,16,19,22-23H,3,12-13H2,1-2H3,(H,21,24).
What are the key properties of benzyl N-[3-(3-ethoxy-4-methoxyphenyl)-2,3-dihydroxypropyl]carbamate?
benzyl N-[3-(3-ethoxy-4-methoxyphenyl)-2,3-dihydroxypropyl]carbamate has a molecular weight of 375.42 g/mol, XLogP of 2.41, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[3-(3-ethoxy-4-methoxyphenyl)-2,3-dihydroxypropyl]carbamate is sourced from PubChem (CID 171857173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).