benzyl N-[2,3-dihydroxy-3-(5-methoxy-2-methylphenyl)propyl]carbamate

C19H23NO5 — CID 171855851

IUPACbenzyl N-[2,3-dihydroxy-3-(5-methoxy-2-methylphenyl)propyl]carbamate
SMILESCOc1ccc(C)c(C(O)C(O)CNC(=O)OCc2ccccc2)c1
InChIInChI=1S/C19H23NO5/c1-13-8-9-15(24-2)10-16(13)18(22)17(21)11-20-19(23)25-12-14-6-4-3-5-7-14/h3-10,17-18,21-22H,11-12H2,1-2H3,(H,20,23)
InChIKeyBXITVBNGLIBGEQ-UHFFFAOYSA-N
MW345.40 g/mol
LogP2.32
Rot. Bonds7

About benzyl N-[2,3-dihydroxy-3-(5-methoxy-2-methylphenyl)propyl]carbamate

benzyl N-[2,3-dihydroxy-3-(5-methoxy-2-methylphenyl)propyl]carbamate (PubChem CID 171855851) has the molecular formula C19H23NO5 and a molecular weight of 345.40 g/mol. Its IUPAC name is benzyl N-[2,3-dihydroxy-3-(5-methoxy-2-methylphenyl)propyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[2,3-dihydroxy-3-(5-methoxy-2-methylphenyl)propyl]carbamate
PubChem CID171855851
Molecular FormulaC19H23NO5
Molecular Weight345.40 g/mol
Exact Mass345.16
IUPAC Namebenzyl N-[2,3-dihydroxy-3-(5-methoxy-2-methylphenyl)propyl]carbamate
SMILESCOc1ccc(C)c(C(O)C(O)CNC(=O)OCc2ccccc2)c1
InChIInChI=1S/C19H23NO5/c1-13-8-9-15(24-2)10-16(13)18(22)17(21)11-20-19(23)25-12-14-6-4-3-5-7-14/h3-10,17-18,21-22H,11-12H2,1-2H3,(H,20,23)
InChIKeyBXITVBNGLIBGEQ-UHFFFAOYSA-N
XLogP2.32
TPSA88.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

benzyl N-[3-(2-bromo-4-methoxyphenyl)-2,3-dihydroxypropyl]carbamate
CID 171857152
4-[1,2-dihydroxy-3-(phenylmethoxycarbonylamino)propyl]-3-methylbenzoic acid
CID 171856230
benzyl N-[2,3-dihydroxy-3-(4-methyl-3-pyridinyl)propyl]carbamate
CID 171855417
benzyl N-[2,3-dihydroxy-3-[2-methyl-4-(trifluoromethyl)phenyl]propyl]carbamate
CID 171856434
benzyl N-[3-(5-amino-2-methoxyphenyl)-2,3-dihydroxypropyl]carbamate
CID 171856050
benzyl N-[2,3-dihydroxy-3-(2-hydroxyphenyl)propyl]carbamate
CID 171855358
benzyl N-[2,3-dihydroxy-3-(4-methoxynaphthalen-1-yl)propyl]carbamate
CID 171856731
benzyl N-[(2S)-2-hydroxy-2-(2-methylphenyl)ethyl]carbamate
CID 124679296
benzyl N-[3-(2-bromo-4-hydroxy-5-methoxyphenyl)-2,3-dihydroxypropyl]carbamate
CID 171857238
benzyl N-[2,3-dihydroxy-3-(3,4,5-trimethoxyphenyl)propyl]carbamate
CID 171856816
benzyl N-[3-(5-cyano-2-methoxyphenyl)-2,3-dihydroxypropyl]carbamate
CID 171856412
benzyl N-[2,3-dihydroxy-3-(3-methylphenyl)propyl]carbamate
CID 171855346

Frequently Asked Questions

What is the IUPAC name of benzyl N-[2,3-dihydroxy-3-(5-methoxy-2-methylphenyl)propyl]carbamate?
The IUPAC name of benzyl N-[2,3-dihydroxy-3-(5-methoxy-2-methylphenyl)propyl]carbamate (CID 171855851) is benzyl N-[2,3-dihydroxy-3-(5-methoxy-2-methylphenyl)propyl]carbamate.
What is the SMILES notation for benzyl N-[2,3-dihydroxy-3-(5-methoxy-2-methylphenyl)propyl]carbamate?
The canonical SMILES for benzyl N-[2,3-dihydroxy-3-(5-methoxy-2-methylphenyl)propyl]carbamate is COc1ccc(C)c(C(O)C(O)CNC(=O)OCc2ccccc2)c1.
What is the InChIKey of benzyl N-[2,3-dihydroxy-3-(5-methoxy-2-methylphenyl)propyl]carbamate?
The InChIKey is BXITVBNGLIBGEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO5/c1-13-8-9-15(24-2)10-16(13)18(22)17(21)11-20-19(23)25-12-14-6-4-3-5-7-14/h3-10,17-18,21-22H,11-12H2,1-2H3,(H,20,23).
What are the key properties of benzyl N-[2,3-dihydroxy-3-(5-methoxy-2-methylphenyl)propyl]carbamate?
benzyl N-[2,3-dihydroxy-3-(5-methoxy-2-methylphenyl)propyl]carbamate has a molecular weight of 345.40 g/mol, XLogP of 2.32, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[2,3-dihydroxy-3-(5-methoxy-2-methylphenyl)propyl]carbamate is sourced from PubChem (CID 171855851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).