5-[[1-(2-methoxyphenyl)cyclopropanecarbonyl]amino]-2-methylbenzoic acid

C19H19NO4 — CID 119255092

IUPAC5-[[1-(2-methoxyphenyl)cyclopropanecarbonyl]amino]-2-methylbenzoic acid
SMILESCOc1ccccc1C1(C(=O)Nc2ccc(C)c(C(=O)O)c2)CC1
InChIInChI=1S/C19H19NO4/c1-12-7-8-13(11-14(12)17(21)22)20-18(23)19(9-10-19)15-5-3-4-6-16(15)24-2/h3-8,11H,9-10H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyVNPKDICIYLVWDC-UHFFFAOYSA-N
MW325.36 g/mol
LogP3.37
Rot. Bonds5

About 5-[[1-(2-methoxyphenyl)cyclopropanecarbonyl]amino]-2-methylbenzoic acid

5-[[1-(2-methoxyphenyl)cyclopropanecarbonyl]amino]-2-methylbenzoic acid (PubChem CID 119255092) has the molecular formula C19H19NO4 and a molecular weight of 325.36 g/mol. Its IUPAC name is 5-[[1-(2-methoxyphenyl)cyclopropanecarbonyl]amino]-2-methylbenzoic acid.

Molecular Properties

Compound Name5-[[1-(2-methoxyphenyl)cyclopropanecarbonyl]amino]-2-methylbenzoic acid
PubChem CID119255092
Molecular FormulaC19H19NO4
Molecular Weight325.36 g/mol
Exact Mass325.13
IUPAC Name5-[[1-(2-methoxyphenyl)cyclopropanecarbonyl]amino]-2-methylbenzoic acid
SMILESCOc1ccccc1C1(C(=O)Nc2ccc(C)c(C(=O)O)c2)CC1
InChIInChI=1S/C19H19NO4/c1-12-7-8-13(11-14(12)17(21)22)20-18(23)19(9-10-19)15-5-3-4-6-16(15)24-2/h3-8,11H,9-10H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyVNPKDICIYLVWDC-UHFFFAOYSA-N
XLogP3.37
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 ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-4-methylphenyl)-1-(2-methoxyphenyl)cyclobutane-1-carboxamide
CID 110439021
3-[[1-(2-methoxyphenyl)cyclopropanecarbonyl]amino]-4-methylbenzoic acid
CID 119219323
1-(2-methoxyphenyl)-N-(2-methyl-4-pyridinyl)cyclopropane-1-carboxamide
CID 110439650
2-[2-fluoro-4-[[1-(2-methoxyphenyl)cyclopropanecarbonyl]amino]phenyl]acetic acid
CID 122109940
5-[[4-(2-chlorophenyl)oxane-4-carbonyl]amino]-2-methylbenzoic acid
CID 119255383
methyl 3-[[1-(2-methoxyphenyl)cyclopropanecarbonyl]amino]benzoate
CID 110438930
1-(2-methoxyphenyl)-N-(3-methoxyphenyl)cyclobutane-1-carboxamide
CID 110439026
N-(4-chloro-2-methylphenyl)-1-(2-methoxyphenyl)cyclopropane-1-carboxamide
CID 110438923
1-(2-methoxyphenyl)-N-pyridin-4-ylcyclobutane-1-carboxamide
CID 110439711
N-(3H-benzimidazol-5-yl)-1-(2-methoxyphenyl)cyclopropane-1-carboxamide
CID 110438956
N-(1H-indazol-6-yl)-1-(2-methoxyphenyl)cyclopropane-1-carboxamide
CID 110438934
N-(4-acetylphenyl)-1-(2-methoxyphenyl)cyclobutane-1-carboxamide
CID 110439041

Frequently Asked Questions

What is the IUPAC name of 5-[[1-(2-methoxyphenyl)cyclopropanecarbonyl]amino]-2-methylbenzoic acid?
The IUPAC name of 5-[[1-(2-methoxyphenyl)cyclopropanecarbonyl]amino]-2-methylbenzoic acid (CID 119255092) is 5-[[1-(2-methoxyphenyl)cyclopropanecarbonyl]amino]-2-methylbenzoic acid.
What is the SMILES notation for 5-[[1-(2-methoxyphenyl)cyclopropanecarbonyl]amino]-2-methylbenzoic acid?
The canonical SMILES for 5-[[1-(2-methoxyphenyl)cyclopropanecarbonyl]amino]-2-methylbenzoic acid is COc1ccccc1C1(C(=O)Nc2ccc(C)c(C(=O)O)c2)CC1.
What is the InChIKey of 5-[[1-(2-methoxyphenyl)cyclopropanecarbonyl]amino]-2-methylbenzoic acid?
The InChIKey is VNPKDICIYLVWDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO4/c1-12-7-8-13(11-14(12)17(21)22)20-18(23)19(9-10-19)15-5-3-4-6-16(15)24-2/h3-8,11H,9-10H2,1-2H3,(H,20,23)(H,21,22).
What are the key properties of 5-[[1-(2-methoxyphenyl)cyclopropanecarbonyl]amino]-2-methylbenzoic acid?
5-[[1-(2-methoxyphenyl)cyclopropanecarbonyl]amino]-2-methylbenzoic acid has a molecular weight of 325.36 g/mol, XLogP of 3.37, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(2-methoxyphenyl)cyclopropanecarbonyl]amino]-2-methylbenzoic acid is sourced from PubChem (CID 119255092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).