3-[[2-(4-methoxyphenyl)cyclopropanecarbonyl]amino]-4-methylbenzoic acid

C19H19NO4 — CID 84569190

IUPAC3-[[2-(4-methoxyphenyl)cyclopropanecarbonyl]amino]-4-methylbenzoic acid
SMILESCOc1ccc(C2CC2C(=O)Nc2cc(C(=O)O)ccc2C)cc1
InChIInChI=1S/C19H19NO4/c1-11-3-4-13(19(22)23)9-17(11)20-18(21)16-10-15(16)12-5-7-14(24-2)8-6-12/h3-9,15-16H,10H2,1-2H3,(H,20,21)(H,22,23)
InChIKeyQADLFOQBRIFUTG-UHFFFAOYSA-N
MW325.36 g/mol
LogP3.44
Rot. Bonds5

About 3-[[2-(4-methoxyphenyl)cyclopropanecarbonyl]amino]-4-methylbenzoic acid

3-[[2-(4-methoxyphenyl)cyclopropanecarbonyl]amino]-4-methylbenzoic acid (PubChem CID 84569190) has the molecular formula C19H19NO4 and a molecular weight of 325.36 g/mol. Its IUPAC name is 3-[[2-(4-methoxyphenyl)cyclopropanecarbonyl]amino]-4-methylbenzoic acid.

Molecular Properties

Compound Name3-[[2-(4-methoxyphenyl)cyclopropanecarbonyl]amino]-4-methylbenzoic acid
PubChem CID84569190
Molecular FormulaC19H19NO4
Molecular Weight325.36 g/mol
Exact Mass325.13
IUPAC Name3-[[2-(4-methoxyphenyl)cyclopropanecarbonyl]amino]-4-methylbenzoic acid
SMILESCOc1ccc(C2CC2C(=O)Nc2cc(C(=O)O)ccc2C)cc1
InChIInChI=1S/C19H19NO4/c1-11-3-4-13(19(22)23)9-17(11)20-18(21)16-10-15(16)12-5-7-14(24-2)8-6-12/h3-9,15-16H,10H2,1-2H3,(H,20,21)(H,22,23)
InChIKeyQADLFOQBRIFUTG-UHFFFAOYSA-N
XLogP3.44
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-chloro-3-[[2-(4-methoxyphenyl)cyclopropanecarbonyl]amino]benzoate
CID 84569184
N-(4-iodo-2-methylphenyl)-2-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 84569194
3-[[(1S,6S)-6-carboxycyclohex-3-ene-1-carbonyl]amino]-4-methylbenzoic acid
CID 747110
3-[[(1S,2R)-2-carboxycyclohexanecarbonyl]amino]-4-methylbenzoic acid
CID 874638
2-(4-methoxyphenyl)-N-(2,3,4-trifluorophenyl)cyclopropane-1-carboxamide
CID 84569198
N-(2-chloro-4-methoxyphenyl)-2-phenylcyclopropane-1-carboxamide
CID 86857978
3-[[2-(4-fluorophenyl)cyclopropanecarbonyl]amino]-4,5-dimethoxybenzoic acid
CID 119214366
trans-(1R,2R)-N-(5-chloro-2-methylphenyl)-2-phenylcyclopropane-1-carboxamide
CID 887653
N-(4,5-dimethoxy-2-methylphenyl)-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 134009885
3,4-dimethoxy-5-[[2-(3-methoxyphenyl)cyclopropanecarbonyl]amino]benzoic acid
CID 75429155
N-(5-chloro-2-phenoxyphenyl)-2-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 84569153
cis-(1R,2S)-N-(2-methyl-5-methylsulfanylphenyl)-2-phenylcyclopropane-1-carboxamide
CID 97258874

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-methoxyphenyl)cyclopropanecarbonyl]amino]-4-methylbenzoic acid?
The IUPAC name of 3-[[2-(4-methoxyphenyl)cyclopropanecarbonyl]amino]-4-methylbenzoic acid (CID 84569190) is 3-[[2-(4-methoxyphenyl)cyclopropanecarbonyl]amino]-4-methylbenzoic acid.
What is the SMILES notation for 3-[[2-(4-methoxyphenyl)cyclopropanecarbonyl]amino]-4-methylbenzoic acid?
The canonical SMILES for 3-[[2-(4-methoxyphenyl)cyclopropanecarbonyl]amino]-4-methylbenzoic acid is COc1ccc(C2CC2C(=O)Nc2cc(C(=O)O)ccc2C)cc1.
What is the InChIKey of 3-[[2-(4-methoxyphenyl)cyclopropanecarbonyl]amino]-4-methylbenzoic acid?
The InChIKey is QADLFOQBRIFUTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO4/c1-11-3-4-13(19(22)23)9-17(11)20-18(21)16-10-15(16)12-5-7-14(24-2)8-6-12/h3-9,15-16H,10H2,1-2H3,(H,20,21)(H,22,23).
What are the key properties of 3-[[2-(4-methoxyphenyl)cyclopropanecarbonyl]amino]-4-methylbenzoic acid?
3-[[2-(4-methoxyphenyl)cyclopropanecarbonyl]amino]-4-methylbenzoic acid has a molecular weight of 325.36 g/mol, XLogP of 3.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4-methoxyphenyl)cyclopropanecarbonyl]amino]-4-methylbenzoic acid is sourced from PubChem (CID 84569190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).