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

C19H19NO5 — CID 169472200

IUPAC5-methoxy-2-[3-(phenylmethoxycarbonylamino)prop-1-enyl]benzoic acid
SMILESCOc1ccc(C=CCNC(=O)OCc2ccccc2)c(C(=O)O)c1
InChIInChI=1S/C19H19NO5/c1-24-16-10-9-15(17(12-16)18(21)22)8-5-11-20-19(23)25-13-14-6-3-2-4-7-14/h2-10,12H,11,13H2,1H3,(H,20,23)(H,21,22)
InChIKeyLMNOKZAKAIOPBY-UHFFFAOYSA-N
MW341.36 g/mol
LogP3.33
Rot. Bonds7

About 5-methoxy-2-[3-(phenylmethoxycarbonylamino)prop-1-enyl]benzoic acid

5-methoxy-2-[3-(phenylmethoxycarbonylamino)prop-1-enyl]benzoic acid (PubChem CID 169472200) has the molecular formula C19H19NO5 and a molecular weight of 341.36 g/mol. Its IUPAC name is 5-methoxy-2-[3-(phenylmethoxycarbonylamino)prop-1-enyl]benzoic acid.

Molecular Properties

Compound Name5-methoxy-2-[3-(phenylmethoxycarbonylamino)prop-1-enyl]benzoic acid
PubChem CID169472200
Molecular FormulaC19H19NO5
Molecular Weight341.36 g/mol
Exact Mass341.13
IUPAC Name5-methoxy-2-[3-(phenylmethoxycarbonylamino)prop-1-enyl]benzoic acid
SMILESCOc1ccc(C=CCNC(=O)OCc2ccccc2)c(C(=O)O)c1
InChIInChI=1S/C19H19NO5/c1-24-16-10-9-15(17(12-16)18(21)22)8-5-11-20-19(23)25-13-14-6-3-2-4-7-14/h2-10,12H,11,13H2,1H3,(H,20,23)(H,21,22)
InChIKeyLMNOKZAKAIOPBY-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

4-methoxy-2-[3-(phenylmethoxycarbonylamino)prop-1-enyl]benzoic acid
CID 169472199
5-chloro-2-[3-(phenylmethoxycarbonylamino)prop-1-enyl]benzoic acid
CID 169471866
5-nitro-2-[3-(phenylmethoxycarbonylamino)prop-1-enyl]benzoic acid
CID 169472503
5-methoxy-2-[3-(methylamino)prop-1-enyl]benzoic acid
CID 169474148
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-methoxy-2,6-dimethylphenyl)prop-2-enyl]carbamate
CID 169471931
2-methoxy-6-[3-(phenylmethoxycarbonylamino)prop-1-enyl]benzoic acid
CID 169472202
2-amino-3-[3-(phenylmethoxycarbonylamino)prop-1-enyl]benzoic acid
CID 169472046
benzyl N-[4-(2-chloro-4-methoxyphenyl)but-3-enyl]carbamate
CID 170493893
2-chloro-3-[3-(phenylmethoxycarbonylamino)prop-1-enyl]benzoic acid
CID 169471850
methyl 4-hydroxy-3-[3-(phenylmethoxycarbonylamino)prop-1-enyl]benzoate
CID 169472193

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[3-(phenylmethoxycarbonylamino)prop-1-enyl]benzoic acid?
The IUPAC name of 5-methoxy-2-[3-(phenylmethoxycarbonylamino)prop-1-enyl]benzoic acid (CID 169472200) is 5-methoxy-2-[3-(phenylmethoxycarbonylamino)prop-1-enyl]benzoic acid.
What is the SMILES notation for 5-methoxy-2-[3-(phenylmethoxycarbonylamino)prop-1-enyl]benzoic acid?
The canonical SMILES for 5-methoxy-2-[3-(phenylmethoxycarbonylamino)prop-1-enyl]benzoic acid is COc1ccc(C=CCNC(=O)OCc2ccccc2)c(C(=O)O)c1.
What is the InChIKey of 5-methoxy-2-[3-(phenylmethoxycarbonylamino)prop-1-enyl]benzoic acid?
The InChIKey is LMNOKZAKAIOPBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO5/c1-24-16-10-9-15(17(12-16)18(21)22)8-5-11-20-19(23)25-13-14-6-3-2-4-7-14/h2-10,12H,11,13H2,1H3,(H,20,23)(H,21,22).
What are the key properties of 5-methoxy-2-[3-(phenylmethoxycarbonylamino)prop-1-enyl]benzoic acid?
5-methoxy-2-[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 5-methoxy-2-[3-(phenylmethoxycarbonylamino)prop-1-enyl]benzoic acid is sourced from PubChem (CID 169472200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).