2-methoxy-6-[3-(phenylmethoxycarbonylamino)prop-1-enyl]benzoic acid

C19H19NO5 — CID 169472202

IUPAC2-methoxy-6-[3-(phenylmethoxycarbonylamino)prop-1-enyl]benzoic acid
SMILESCOc1cccc(C=CCNC(=O)OCc2ccccc2)c1C(=O)O
InChIInChI=1S/C19H19NO5/c1-24-16-11-5-9-15(17(16)18(21)22)10-6-12-20-19(23)25-13-14-7-3-2-4-8-14/h2-11H,12-13H2,1H3,(H,20,23)(H,21,22)
InChIKeyUVRMEZXNUWSRSM-UHFFFAOYSA-N
MW341.36 g/mol
LogP3.33
Rot. Bonds7

About 2-methoxy-6-[3-(phenylmethoxycarbonylamino)prop-1-enyl]benzoic acid

2-methoxy-6-[3-(phenylmethoxycarbonylamino)prop-1-enyl]benzoic acid (PubChem CID 169472202) has the molecular formula C19H19NO5 and a molecular weight of 341.36 g/mol. Its IUPAC name is 2-methoxy-6-[3-(phenylmethoxycarbonylamino)prop-1-enyl]benzoic acid.

Molecular Properties

Compound Name2-methoxy-6-[3-(phenylmethoxycarbonylamino)prop-1-enyl]benzoic acid
PubChem CID169472202
Molecular FormulaC19H19NO5
Molecular Weight341.36 g/mol
Exact Mass341.13
IUPAC Name2-methoxy-6-[3-(phenylmethoxycarbonylamino)prop-1-enyl]benzoic acid
SMILESCOc1cccc(C=CCNC(=O)OCc2ccccc2)c1C(=O)O
InChIInChI=1S/C19H19NO5/c1-24-16-11-5-9-15(17(16)18(21)22)10-6-12-20-19(23)25-13-14-7-3-2-4-8-14/h2-11H,12-13H2,1H3,(H,20,23)(H,21,22)
InChIKeyUVRMEZXNUWSRSM-UHFFFAOYSA-N
XLogP3.33
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.36
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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-naphthalen-1-ylprop-2-enyl)carbamate
CID 169471773
benzyl N-[3-(2-ethylphenyl)prop-2-enyl]carbamate
CID 169471140
2-amino-3-[3-(phenylmethoxycarbonylamino)prop-1-enyl]benzoic acid
CID 169472046
benzyl N-[3-(2-bromo-5-hydroxy-4-methoxyphenyl)prop-2-enyl]carbamate
CID 169472900
2-chloro-3-[3-(phenylmethoxycarbonylamino)prop-1-enyl]benzoic acid
CID 169471850
benzyl N-[3-(2-methyl-3-nitrophenyl)prop-2-enyl]carbamate
CID 169472067
benzyl N-[3-[4-(2-methoxyphenyl)phenyl]prop-2-enyl]carbamate
CID 169472783
5-methoxy-2-[3-(phenylmethoxycarbonylamino)prop-1-enyl]benzoic acid
CID 169472200
4-methoxy-2-[3-(phenylmethoxycarbonylamino)prop-1-enyl]benzoic acid
CID 169472199
benzyl N-[3-[2-(hydroxymethyl)phenyl]prop-2-enyl]carbamate
CID 169471204

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-[3-(phenylmethoxycarbonylamino)prop-1-enyl]benzoic acid?
The IUPAC name of 2-methoxy-6-[3-(phenylmethoxycarbonylamino)prop-1-enyl]benzoic acid (CID 169472202) is 2-methoxy-6-[3-(phenylmethoxycarbonylamino)prop-1-enyl]benzoic acid.
What is the SMILES notation for 2-methoxy-6-[3-(phenylmethoxycarbonylamino)prop-1-enyl]benzoic acid?
The canonical SMILES for 2-methoxy-6-[3-(phenylmethoxycarbonylamino)prop-1-enyl]benzoic acid is COc1cccc(C=CCNC(=O)OCc2ccccc2)c1C(=O)O.
What is the InChIKey of 2-methoxy-6-[3-(phenylmethoxycarbonylamino)prop-1-enyl]benzoic acid?
The InChIKey is UVRMEZXNUWSRSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO5/c1-24-16-11-5-9-15(17(16)18(21)22)10-6-12-20-19(23)25-13-14-7-3-2-4-8-14/h2-11H,12-13H2,1H3,(H,20,23)(H,21,22).
What are the key properties of 2-methoxy-6-[3-(phenylmethoxycarbonylamino)prop-1-enyl]benzoic acid?
2-methoxy-6-[3-(phenylmethoxycarbonylamino)prop-1-enyl]benzoic acid has a molecular weight of 341.36 g/mol, XLogP of 3.33, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-[3-(phenylmethoxycarbonylamino)prop-1-enyl]benzoic acid is sourced from PubChem (CID 169472202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).