3-[[1-(2-methoxyphenyl)cyclopropanecarbonyl]amino]-4-methylbenzoic acid

C19H19NO4 — CID 119219323

IUPAC3-[[1-(2-methoxyphenyl)cyclopropanecarbonyl]amino]-4-methylbenzoic acid
SMILESCOc1ccccc1C1(C(=O)Nc2cc(C(=O)O)ccc2C)CC1
InChIInChI=1S/C19H19NO4/c1-12-7-8-13(17(21)22)11-15(12)20-18(23)19(9-10-19)14-5-3-4-6-16(14)24-2/h3-8,11H,9-10H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyRGCBUSBQVKRASE-UHFFFAOYSA-N
MW325.36 g/mol
LogP3.37
Rot. Bonds5

About 3-[[1-(2-methoxyphenyl)cyclopropanecarbonyl]amino]-4-methylbenzoic acid

3-[[1-(2-methoxyphenyl)cyclopropanecarbonyl]amino]-4-methylbenzoic acid (PubChem CID 119219323) has the molecular formula C19H19NO4 and a molecular weight of 325.36 g/mol. Its IUPAC name is 3-[[1-(2-methoxyphenyl)cyclopropanecarbonyl]amino]-4-methylbenzoic acid.

Molecular Properties

Compound Name3-[[1-(2-methoxyphenyl)cyclopropanecarbonyl]amino]-4-methylbenzoic acid
PubChem CID119219323
Molecular FormulaC19H19NO4
Molecular Weight325.36 g/mol
Exact Mass325.13
IUPAC Name3-[[1-(2-methoxyphenyl)cyclopropanecarbonyl]amino]-4-methylbenzoic acid
SMILESCOc1ccccc1C1(C(=O)Nc2cc(C(=O)O)ccc2C)CC1
InChIInChI=1S/C19H19NO4/c1-12-7-8-13(17(21)22)11-15(12)20-18(23)19(9-10-19)14-5-3-4-6-16(14)24-2/h3-8,11H,9-10H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyRGCBUSBQVKRASE-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

5-[[1-(2-methoxyphenyl)cyclopropanecarbonyl]amino]-2-methylbenzoic acid
CID 119255092
N-(4-chloro-2-methylphenyl)-1-(2-methoxyphenyl)cyclopropane-1-carboxamide
CID 110438923
3-[(2,6-dimethoxybenzoyl)amino]-4-methylbenzoic acid
CID 769955
N-(3-chloro-4-methylphenyl)-1-(2-methoxyphenyl)cyclobutane-1-carboxamide
CID 110439021
N-(2-chloro-4,6-dimethylphenyl)-1-(2-methoxyphenyl)cyclopropane-1-carboxamide
CID 110438924
1-(2-methoxyphenyl)-N-[2-methyl-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]cyclopropane-1-carboxamide
CID 122283698
methyl 3-[[1-(2-methoxyphenyl)cyclopropanecarbonyl]amino]benzoate
CID 110438930
methyl 4-[[1-(2-methoxyphenyl)cyclobutanecarbonyl]amino]benzoate
CID 110439045
N-(4-acetylphenyl)-1-(2-methoxyphenyl)cyclobutane-1-carboxamide
CID 110439041
1-(2-methoxyphenyl)-N-(2-methyl-4-pyridinyl)cyclopropane-1-carboxamide
CID 110439650
1-(2-methoxyphenyl)-N-(1H-1,2,4-triazol-5-yl)cyclopropane-1-carboxamide
CID 110464560
3-[[2-(1-methoxycyclobutyl)acetyl]amino]-4-methylbenzoic acid
CID 103555485

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(2-methoxyphenyl)cyclopropanecarbonyl]amino]-4-methylbenzoic acid?
The IUPAC name of 3-[[1-(2-methoxyphenyl)cyclopropanecarbonyl]amino]-4-methylbenzoic acid (CID 119219323) is 3-[[1-(2-methoxyphenyl)cyclopropanecarbonyl]amino]-4-methylbenzoic acid.
What is the SMILES notation for 3-[[1-(2-methoxyphenyl)cyclopropanecarbonyl]amino]-4-methylbenzoic acid?
The canonical SMILES for 3-[[1-(2-methoxyphenyl)cyclopropanecarbonyl]amino]-4-methylbenzoic acid is COc1ccccc1C1(C(=O)Nc2cc(C(=O)O)ccc2C)CC1.
What is the InChIKey of 3-[[1-(2-methoxyphenyl)cyclopropanecarbonyl]amino]-4-methylbenzoic acid?
The InChIKey is RGCBUSBQVKRASE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO4/c1-12-7-8-13(17(21)22)11-15(12)20-18(23)19(9-10-19)14-5-3-4-6-16(14)24-2/h3-8,11H,9-10H2,1-2H3,(H,20,23)(H,21,22).
What are the key properties of 3-[[1-(2-methoxyphenyl)cyclopropanecarbonyl]amino]-4-methylbenzoic acid?
3-[[1-(2-methoxyphenyl)cyclopropanecarbonyl]amino]-4-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 3-[[1-(2-methoxyphenyl)cyclopropanecarbonyl]amino]-4-methylbenzoic acid is sourced from PubChem (CID 119219323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).