methyl 4-hydroxy-3-[3-(phenylmethoxycarbonylamino)prop-1-enyl]benzoate

C19H19NO5 — CID 169472193

IUPACmethyl 4-hydroxy-3-[3-(phenylmethoxycarbonylamino)prop-1-enyl]benzoate
SMILESCOC(=O)c1ccc(O)c(C=CCNC(=O)OCc2ccccc2)c1
InChIInChI=1S/C19H19NO5/c1-24-18(22)16-9-10-17(21)15(12-16)8-5-11-20-19(23)25-13-14-6-3-2-4-7-14/h2-10,12,21H,11,13H2,1H3,(H,20,23)
InChIKeyMEEKZFAPIDRCLF-UHFFFAOYSA-N
MW341.36 g/mol
LogP3.12
Rot. Bonds6

About methyl 4-hydroxy-3-[3-(phenylmethoxycarbonylamino)prop-1-enyl]benzoate

methyl 4-hydroxy-3-[3-(phenylmethoxycarbonylamino)prop-1-enyl]benzoate (PubChem CID 169472193) has the molecular formula C19H19NO5 and a molecular weight of 341.36 g/mol. Its IUPAC name is methyl 4-hydroxy-3-[3-(phenylmethoxycarbonylamino)prop-1-enyl]benzoate.

Molecular Properties

Compound Namemethyl 4-hydroxy-3-[3-(phenylmethoxycarbonylamino)prop-1-enyl]benzoate
PubChem CID169472193
Molecular FormulaC19H19NO5
Molecular Weight341.36 g/mol
Exact Mass341.13
IUPAC Namemethyl 4-hydroxy-3-[3-(phenylmethoxycarbonylamino)prop-1-enyl]benzoate
SMILESCOC(=O)c1ccc(O)c(C=CCNC(=O)OCc2ccccc2)c1
InChIInChI=1S/C19H19NO5/c1-24-18(22)16-9-10-17(21)15(12-16)8-5-11-20-19(23)25-13-14-6-3-2-4-7-14/h2-10,12,21H,11,13H2,1H3,(H,20,23)
InChIKeyMEEKZFAPIDRCLF-UHFFFAOYSA-N
XLogP3.12
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.36
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

benzyl N-[3-(2,5-dihydroxyphenyl)prop-2-enyl]carbamate
CID 169472876
methyl 3-nitro-4-[3-(phenylmethoxycarbonylamino)prop-1-enyl]benzoate
CID 169472544
4-methoxy-3-[3-(phenylmethoxycarbonylamino)prop-1-enyl]benzoic acid
CID 169472191
methyl 4-hydroxy-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]prop-1-enyl]benzoate
CID 169468079
methyl 3-(3-acetamidoprop-1-enyl)-4-hydroxybenzoate
CID 169466032
benzyl N-[3-(2-methoxyphenyl)prop-2-enyl]carbamate
CID 169471209
benzyl N-[3-(2-bromo-5-hydroxy-4-methoxyphenyl)prop-2-enyl]carbamate
CID 169472900
5-methoxy-2-[3-(phenylmethoxycarbonylamino)prop-1-enyl]benzoic acid
CID 169472200
benzyl N-[3-(2-sulfamoylphenyl)prop-2-enyl]carbamate
CID 169472018
benzyl N-[3-(2-ethylphenyl)prop-2-enyl]carbamate
CID 169471140
benzyl N-[3-(4-amino-2,5-dimethylphenyl)prop-2-enyl]carbamate
CID 169471640
methyl 5-[3-(phenylmethoxycarbonylamino)prop-1-enyl]furan-2-carboxylate
CID 169471548

Frequently Asked Questions

What is the IUPAC name of methyl 4-hydroxy-3-[3-(phenylmethoxycarbonylamino)prop-1-enyl]benzoate?
The IUPAC name of methyl 4-hydroxy-3-[3-(phenylmethoxycarbonylamino)prop-1-enyl]benzoate (CID 169472193) is methyl 4-hydroxy-3-[3-(phenylmethoxycarbonylamino)prop-1-enyl]benzoate.
What is the SMILES notation for methyl 4-hydroxy-3-[3-(phenylmethoxycarbonylamino)prop-1-enyl]benzoate?
The canonical SMILES for methyl 4-hydroxy-3-[3-(phenylmethoxycarbonylamino)prop-1-enyl]benzoate is COC(=O)c1ccc(O)c(C=CCNC(=O)OCc2ccccc2)c1.
What is the InChIKey of methyl 4-hydroxy-3-[3-(phenylmethoxycarbonylamino)prop-1-enyl]benzoate?
The InChIKey is MEEKZFAPIDRCLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO5/c1-24-18(22)16-9-10-17(21)15(12-16)8-5-11-20-19(23)25-13-14-6-3-2-4-7-14/h2-10,12,21H,11,13H2,1H3,(H,20,23).
What are the key properties of methyl 4-hydroxy-3-[3-(phenylmethoxycarbonylamino)prop-1-enyl]benzoate?
methyl 4-hydroxy-3-[3-(phenylmethoxycarbonylamino)prop-1-enyl]benzoate has a molecular weight of 341.36 g/mol, XLogP of 3.12, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-hydroxy-3-[3-(phenylmethoxycarbonylamino)prop-1-enyl]benzoate is sourced from PubChem (CID 169472193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).