benzyl N-[3-(4-ethoxy-3-methoxyphenyl)prop-2-enyl]carbamate

C20H23NO4 — CID 169472836

IUPACbenzyl N-[3-(4-ethoxy-3-methoxyphenyl)prop-2-enyl]carbamate
SMILESCCOc1ccc(C=CCNC(=O)OCc2ccccc2)cc1OC
InChIInChI=1S/C20H23NO4/c1-3-24-18-12-11-16(14-19(18)23-2)10-7-13-21-20(22)25-15-17-8-5-4-6-9-17/h4-12,14H,3,13,15H2,1-2H3,(H,21,22)
InChIKeySJOWBYIFVPFYLM-UHFFFAOYSA-N
MW341.41 g/mol
LogP4.03
Rot. Bonds8

About benzyl N-[3-(4-ethoxy-3-methoxyphenyl)prop-2-enyl]carbamate

benzyl N-[3-(4-ethoxy-3-methoxyphenyl)prop-2-enyl]carbamate (PubChem CID 169472836) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is benzyl N-[3-(4-ethoxy-3-methoxyphenyl)prop-2-enyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[3-(4-ethoxy-3-methoxyphenyl)prop-2-enyl]carbamate
PubChem CID169472836
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Namebenzyl N-[3-(4-ethoxy-3-methoxyphenyl)prop-2-enyl]carbamate
SMILESCCOc1ccc(C=CCNC(=O)OCc2ccccc2)cc1OC
InChIInChI=1S/C20H23NO4/c1-3-24-18-12-11-16(14-19(18)23-2)10-7-13-21-20(22)25-15-17-8-5-4-6-9-17/h4-12,14H,3,13,15H2,1-2H3,(H,21,22)
InChIKeySJOWBYIFVPFYLM-UHFFFAOYSA-N
XLogP4.03
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl N-[3-[4-(hydroxymethyl)-3-methoxyphenyl]prop-2-enyl]carbamate
CID 169471883
N-[3-(3-ethoxy-4-phenylmethoxyphenyl)prop-2-enyl]acetamide
CID 169466602
benzyl N-[3-[4-methoxy-3-(trifluoromethyl)phenyl]prop-2-enyl]carbamate
CID 169472456
(E)-3-[2-methoxy-5-[3-(phenylmethoxycarbonylamino)prop-1-enyl]phenyl]prop-2-enoic acid
CID 169472537
benzyl N-[3-[4-(2-methoxyphenyl)phenyl]prop-2-enyl]carbamate
CID 169472783
benzyl N-[3-(2-methoxyphenyl)prop-2-enyl]carbamate
CID 169471209
4-methoxy-3-[3-(phenylmethoxycarbonylamino)prop-1-enyl]benzoic acid
CID 169472191
benzyl N-[3-[4-(methylamino)phenyl]prop-2-enyl]carbamate
CID 169471327
benzyl N-[3-(3-phenylphenyl)prop-2-enyl]carbamate
CID 169472386
methyl 5-[3-(phenylmethoxycarbonylamino)prop-1-enyl]pyridine-2-carboxylate
CID 169472039
benzyl N-[3-(1,3-dioxoisoindol-5-yl)prop-2-enyl]carbamate
CID 169472370
benzyl N-[3-(4-ethenylphenyl)prop-2-enyl]carbamate
CID 169471136

Frequently Asked Questions

What is the IUPAC name of benzyl N-[3-(4-ethoxy-3-methoxyphenyl)prop-2-enyl]carbamate?
The IUPAC name of benzyl N-[3-(4-ethoxy-3-methoxyphenyl)prop-2-enyl]carbamate (CID 169472836) is benzyl N-[3-(4-ethoxy-3-methoxyphenyl)prop-2-enyl]carbamate.
What is the SMILES notation for benzyl N-[3-(4-ethoxy-3-methoxyphenyl)prop-2-enyl]carbamate?
The canonical SMILES for benzyl N-[3-(4-ethoxy-3-methoxyphenyl)prop-2-enyl]carbamate is CCOc1ccc(C=CCNC(=O)OCc2ccccc2)cc1OC.
What is the InChIKey of benzyl N-[3-(4-ethoxy-3-methoxyphenyl)prop-2-enyl]carbamate?
The InChIKey is SJOWBYIFVPFYLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4/c1-3-24-18-12-11-16(14-19(18)23-2)10-7-13-21-20(22)25-15-17-8-5-4-6-9-17/h4-12,14H,3,13,15H2,1-2H3,(H,21,22).
What are the key properties of benzyl N-[3-(4-ethoxy-3-methoxyphenyl)prop-2-enyl]carbamate?
benzyl N-[3-(4-ethoxy-3-methoxyphenyl)prop-2-enyl]carbamate has a molecular weight of 341.41 g/mol, XLogP of 4.03, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[3-(4-ethoxy-3-methoxyphenyl)prop-2-enyl]carbamate is sourced from PubChem (CID 169472836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).