2-[3-[2-[[cyclopropanecarbonyl(ethyl)amino]methyl]-5-methoxyphenyl]-4-methoxyphenyl]acetic acid

C23H27NO5 — CID 54672888

IUPAC2-[3-[2-[[cyclopropanecarbonyl(ethyl)amino]methyl]-5-methoxyphenyl]-4-methoxyphenyl]acetic acid
SMILESCCN(Cc1ccc(OC)cc1-c1cc(CC(=O)O)ccc1OC)C(=O)C1CC1
InChIInChI=1S/C23H27NO5/c1-4-24(23(27)16-6-7-16)14-17-8-9-18(28-2)13-19(17)20-11-15(12-22(25)26)5-10-21(20)29-3/h5,8-11,13,16H,4,6-7,12,14H2,1-3H3,(H,25,26)
InChIKeyBJDQKVPEMHPCSI-UHFFFAOYSA-N
MW397.47 g/mol
LogP3.76
Rot. Bonds9

About 2-[3-[2-[[cyclopropanecarbonyl(ethyl)amino]methyl]-5-methoxyphenyl]-4-methoxyphenyl]acetic acid

2-[3-[2-[[cyclopropanecarbonyl(ethyl)amino]methyl]-5-methoxyphenyl]-4-methoxyphenyl]acetic acid (PubChem CID 54672888) has the molecular formula C23H27NO5 and a molecular weight of 397.47 g/mol. Its IUPAC name is 2-[3-[2-[[cyclopropanecarbonyl(ethyl)amino]methyl]-5-methoxyphenyl]-4-methoxyphenyl]acetic acid.

Molecular Properties

Compound Name2-[3-[2-[[cyclopropanecarbonyl(ethyl)amino]methyl]-5-methoxyphenyl]-4-methoxyphenyl]acetic acid
PubChem CID54672888
Molecular FormulaC23H27NO5
Molecular Weight397.47 g/mol
Exact Mass397.19
IUPAC Name2-[3-[2-[[cyclopropanecarbonyl(ethyl)amino]methyl]-5-methoxyphenyl]-4-methoxyphenyl]acetic acid
SMILESCCN(Cc1ccc(OC)cc1-c1cc(CC(=O)O)ccc1OC)C(=O)C1CC1
InChIInChI=1S/C23H27NO5/c1-4-24(23(27)16-6-7-16)14-17-8-9-18(28-2)13-19(17)20-11-15(12-22(25)26)5-10-21(20)29-3/h5,8-11,13,16H,4,6-7,12,14H2,1-3H3,(H,25,26)
InChIKeyBJDQKVPEMHPCSI-UHFFFAOYSA-N
XLogP3.76
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.47
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[3-[2-[[cyclopropanecarbonyl(ethyl)amino]methyl]-5-methoxyphenyl]-4-methoxyphenyl]acetic acid with MolForge

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Related Compounds

2-[3-[2-[[cyclobutanecarbonyl(ethyl)amino]methyl]-4-methylphenyl]-4-methoxyphenyl]acetic acid
CID 58148955
2-[3-[2-[[ethyl-[(4-fluorophenyl)methoxycarbonyl]amino]methyl]-5-methoxyphenyl]-4-methoxyphenyl]acetic acid
CID 58148974
ethyl 2-[3-[4-bromo-2-[[cyclopropanecarbonyl(ethyl)amino]methyl]phenyl]-4-methoxyphenyl]acetate
CID 58149020
2-[3-(2-fluoro-5-methoxyphenyl)-4-methoxyphenyl]acetic acid
CID 176513629
2-[3-[2-[[acetyl(ethyl)amino]methyl]-5-(methoxycarbonylamino)phenyl]-4-methoxyphenyl]acetic acid
CID 56924995
2-[3-[2-[[benzylcarbamoyl(ethyl)amino]methyl]-5-ethylphenyl]-4-methoxyphenyl]acetic acid
CID 142785786
2-[3-[2-[[ethyl(2-methylpropanoyl)amino]methyl]-4-methylphenyl]-4-methoxyphenyl]acetic acid
CID 58148904
2-[4-methoxy-3-(4-methoxyphenyl)phenyl]acetic acid
CID 176513640
2-[3-[2-[[benzylcarbamoyl(ethyl)amino]methyl]-5-(trifluoromethyl)phenyl]-4-methoxyphenyl]acetic acid
CID 66606901
2-[2-[[cyclopropanecarbonyl(ethyl)amino]methyl]-4,5-dimethoxy-3-phenylphenyl]acetic acid
CID 174736869
N-ethyl-N-[(4-methoxyphenyl)methyl]oxane-4-carboxamide
CID 52572788
2-[5-[2-[[cyclopropanecarbonyl(ethyl)amino]methyl]-4-(trifluoromethyl)phenyl]-6-methoxy-3-pyridinyl]acetic acid
CID 45138482

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-[[cyclopropanecarbonyl(ethyl)amino]methyl]-5-methoxyphenyl]-4-methoxyphenyl]acetic acid?
The IUPAC name of 2-[3-[2-[[cyclopropanecarbonyl(ethyl)amino]methyl]-5-methoxyphenyl]-4-methoxyphenyl]acetic acid (CID 54672888) is 2-[3-[2-[[cyclopropanecarbonyl(ethyl)amino]methyl]-5-methoxyphenyl]-4-methoxyphenyl]acetic acid.
What is the SMILES notation for 2-[3-[2-[[cyclopropanecarbonyl(ethyl)amino]methyl]-5-methoxyphenyl]-4-methoxyphenyl]acetic acid?
The canonical SMILES for 2-[3-[2-[[cyclopropanecarbonyl(ethyl)amino]methyl]-5-methoxyphenyl]-4-methoxyphenyl]acetic acid is CCN(Cc1ccc(OC)cc1-c1cc(CC(=O)O)ccc1OC)C(=O)C1CC1.
What is the InChIKey of 2-[3-[2-[[cyclopropanecarbonyl(ethyl)amino]methyl]-5-methoxyphenyl]-4-methoxyphenyl]acetic acid?
The InChIKey is BJDQKVPEMHPCSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO5/c1-4-24(23(27)16-6-7-16)14-17-8-9-18(28-2)13-19(17)20-11-15(12-22(25)26)5-10-21(20)29-3/h5,8-11,13,16H,4,6-7,12,14H2,1-3H3,(H,25,26).
What are the key properties of 2-[3-[2-[[cyclopropanecarbonyl(ethyl)amino]methyl]-5-methoxyphenyl]-4-methoxyphenyl]acetic acid?
2-[3-[2-[[cyclopropanecarbonyl(ethyl)amino]methyl]-5-methoxyphenyl]-4-methoxyphenyl]acetic acid has a molecular weight of 397.47 g/mol, XLogP of 3.76, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-[[cyclopropanecarbonyl(ethyl)amino]methyl]-5-methoxyphenyl]-4-methoxyphenyl]acetic acid is sourced from PubChem (CID 54672888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).