3,4-dimethoxy-5-[[2-(3-methoxyphenyl)cyclopropanecarbonyl]amino]benzoic acid

C20H21NO6 — CID 75429155

IUPAC3,4-dimethoxy-5-[[2-(3-methoxyphenyl)cyclopropanecarbonyl]amino]benzoic acid
SMILESCOc1cccc(C2CC2C(=O)Nc2cc(C(=O)O)cc(OC)c2OC)c1
InChIInChI=1S/C20H21NO6/c1-25-13-6-4-5-11(7-13)14-10-15(14)19(22)21-16-8-12(20(23)24)9-17(26-2)18(16)27-3/h4-9,14-15H,10H2,1-3H3,(H,21,22)(H,23,24)
InChIKeyCYULTUTZBHZPFO-UHFFFAOYSA-N
MW371.39 g/mol
LogP3.15
Rot. Bonds7

About 3,4-dimethoxy-5-[[2-(3-methoxyphenyl)cyclopropanecarbonyl]amino]benzoic acid

3,4-dimethoxy-5-[[2-(3-methoxyphenyl)cyclopropanecarbonyl]amino]benzoic acid (PubChem CID 75429155) has the molecular formula C20H21NO6 and a molecular weight of 371.39 g/mol. Its IUPAC name is 3,4-dimethoxy-5-[[2-(3-methoxyphenyl)cyclopropanecarbonyl]amino]benzoic acid.

Molecular Properties

Compound Name3,4-dimethoxy-5-[[2-(3-methoxyphenyl)cyclopropanecarbonyl]amino]benzoic acid
PubChem CID75429155
Molecular FormulaC20H21NO6
Molecular Weight371.39 g/mol
Exact Mass371.14
IUPAC Name3,4-dimethoxy-5-[[2-(3-methoxyphenyl)cyclopropanecarbonyl]amino]benzoic acid
SMILESCOc1cccc(C2CC2C(=O)Nc2cc(C(=O)O)cc(OC)c2OC)c1
InChIInChI=1S/C20H21NO6/c1-25-13-6-4-5-11(7-13)14-10-15(14)19(22)21-16-8-12(20(23)24)9-17(26-2)18(16)27-3/h4-9,14-15H,10H2,1-3H3,(H,21,22)(H,23,24)
InChIKeyCYULTUTZBHZPFO-UHFFFAOYSA-N
XLogP3.15
TPSA94.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[2-(4-fluorophenyl)cyclopropanecarbonyl]amino]-4,5-dimethoxybenzoic acid
CID 119214366
3,4-dimethoxy-5-[[(1S,2R)-2-(5-methylthiophen-2-yl)cyclopropanecarbonyl]amino]benzoic acid
CID 97234084
2-[4-[[2-(3-methoxyphenyl)cyclopropanecarbonyl]amino]-3-methylphenoxy]acetic acid
CID 119231558
N-(2-chloro-4-methoxyphenyl)-2-phenylcyclopropane-1-carboxamide
CID 86857978
3-[[2-(4-methoxyphenyl)cyclopropanecarbonyl]amino]-4-methylbenzoic acid
CID 84569190
cis-(1R,2S)-N-(2-cyclopentylpropan-2-yl)-2-(3-methoxyphenyl)cyclopropane-1-carboxamide
CID 97329645
N-[2-methoxy-4-[3-methoxy-4-[(2-phenylcyclopropanecarbonyl)amino]phenyl]phenyl]-2-phenylcyclopropane-1-carboxamide
CID 3698096
1-[(1S,2S)-2-(3-methoxyphenyl)cyclopropyl]ethanone
CID 28912388
trans-(1R,2R)-2-(3-methoxyphenyl)-N-(4-methylsulfonylphenyl)cyclopropane-1-carboxamide
CID 124546247
trans-(1S,2S)-2-(3-methoxyphenyl)-N-(4-methylsulfonylphenyl)cyclopropane-1-carboxamide
CID 124546246
cis-(1S,2R)-N-(2-methoxy-5-methylphenyl)-2-phenylcyclopropane-1-carboxamide
CID 868729
N-(2-amino-5-methoxyphenyl)-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 119421188

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-5-[[2-(3-methoxyphenyl)cyclopropanecarbonyl]amino]benzoic acid?
The IUPAC name of 3,4-dimethoxy-5-[[2-(3-methoxyphenyl)cyclopropanecarbonyl]amino]benzoic acid (CID 75429155) is 3,4-dimethoxy-5-[[2-(3-methoxyphenyl)cyclopropanecarbonyl]amino]benzoic acid.
What is the SMILES notation for 3,4-dimethoxy-5-[[2-(3-methoxyphenyl)cyclopropanecarbonyl]amino]benzoic acid?
The canonical SMILES for 3,4-dimethoxy-5-[[2-(3-methoxyphenyl)cyclopropanecarbonyl]amino]benzoic acid is COc1cccc(C2CC2C(=O)Nc2cc(C(=O)O)cc(OC)c2OC)c1.
What is the InChIKey of 3,4-dimethoxy-5-[[2-(3-methoxyphenyl)cyclopropanecarbonyl]amino]benzoic acid?
The InChIKey is CYULTUTZBHZPFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO6/c1-25-13-6-4-5-11(7-13)14-10-15(14)19(22)21-16-8-12(20(23)24)9-17(26-2)18(16)27-3/h4-9,14-15H,10H2,1-3H3,(H,21,22)(H,23,24).
What are the key properties of 3,4-dimethoxy-5-[[2-(3-methoxyphenyl)cyclopropanecarbonyl]amino]benzoic acid?
3,4-dimethoxy-5-[[2-(3-methoxyphenyl)cyclopropanecarbonyl]amino]benzoic acid has a molecular weight of 371.39 g/mol, XLogP of 3.15, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-5-[[2-(3-methoxyphenyl)cyclopropanecarbonyl]amino]benzoic acid is sourced from PubChem (CID 75429155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).