methyl 3-[[1-(2-methoxyphenyl)cyclopropanecarbonyl]amino]benzoate

C19H19NO4 — CID 110438930

IUPACmethyl 3-[[1-(2-methoxyphenyl)cyclopropanecarbonyl]amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)C2(c3ccccc3OC)CC2)c1
InChIInChI=1S/C19H19NO4/c1-23-16-9-4-3-8-15(16)19(10-11-19)18(22)20-14-7-5-6-13(12-14)17(21)24-2/h3-9,12H,10-11H2,1-2H3,(H,20,22)
InChIKeyFPOJJRLCAPMTCV-UHFFFAOYSA-N
MW325.36 g/mol
LogP3.15
Rot. Bonds5

About methyl 3-[[1-(2-methoxyphenyl)cyclopropanecarbonyl]amino]benzoate

methyl 3-[[1-(2-methoxyphenyl)cyclopropanecarbonyl]amino]benzoate (PubChem CID 110438930) has the molecular formula C19H19NO4 and a molecular weight of 325.36 g/mol. Its IUPAC name is methyl 3-[[1-(2-methoxyphenyl)cyclopropanecarbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 3-[[1-(2-methoxyphenyl)cyclopropanecarbonyl]amino]benzoate
PubChem CID110438930
Molecular FormulaC19H19NO4
Molecular Weight325.36 g/mol
Exact Mass325.13
IUPAC Namemethyl 3-[[1-(2-methoxyphenyl)cyclopropanecarbonyl]amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)C2(c3ccccc3OC)CC2)c1
InChIInChI=1S/C19H19NO4/c1-23-16-9-4-3-8-15(16)19(10-11-19)18(22)20-14-7-5-6-13(12-14)17(21)24-2/h3-9,12H,10-11H2,1-2H3,(H,20,22)
InChIKeyFPOJJRLCAPMTCV-UHFFFAOYSA-N
XLogP3.15
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methoxyphenyl)-N-(3-methoxyphenyl)cyclobutane-1-carboxamide
CID 110439026
1-(2-methoxyphenyl)-N-(2-methyl-4-pyridinyl)cyclopropane-1-carboxamide
CID 110439650
5-[[1-(2-methoxyphenyl)cyclopropanecarbonyl]amino]-2-methylbenzoic acid
CID 119255092
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-(4-acetylphenyl)-1-(2-methoxyphenyl)cyclobutane-1-carboxamide
CID 110439041
2-[2-fluoro-4-[[1-(2-methoxyphenyl)cyclopropanecarbonyl]amino]phenyl]acetic acid
CID 122109940
N-(3-chloro-4-methylphenyl)-1-(2-methoxyphenyl)cyclobutane-1-carboxamide
CID 110439021
N-(3-acetylphenyl)-1-(2-chlorophenyl)cyclopropane-1-carboxamide
CID 110439373
N-(3-acetylphenyl)-1-(2-fluorophenyl)cyclopropane-1-carboxamide
CID 110423595
N-(1H-indazol-6-yl)-1-(2-methoxyphenyl)cyclopropane-1-carboxamide
CID 110438934
N-(4-chloro-2-methylphenyl)-1-(2-methoxyphenyl)cyclopropane-1-carboxamide
CID 110438923

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[1-(2-methoxyphenyl)cyclopropanecarbonyl]amino]benzoate?
The IUPAC name of methyl 3-[[1-(2-methoxyphenyl)cyclopropanecarbonyl]amino]benzoate (CID 110438930) is methyl 3-[[1-(2-methoxyphenyl)cyclopropanecarbonyl]amino]benzoate.
What is the SMILES notation for methyl 3-[[1-(2-methoxyphenyl)cyclopropanecarbonyl]amino]benzoate?
The canonical SMILES for methyl 3-[[1-(2-methoxyphenyl)cyclopropanecarbonyl]amino]benzoate is COC(=O)c1cccc(NC(=O)C2(c3ccccc3OC)CC2)c1.
What is the InChIKey of methyl 3-[[1-(2-methoxyphenyl)cyclopropanecarbonyl]amino]benzoate?
The InChIKey is FPOJJRLCAPMTCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO4/c1-23-16-9-4-3-8-15(16)19(10-11-19)18(22)20-14-7-5-6-13(12-14)17(21)24-2/h3-9,12H,10-11H2,1-2H3,(H,20,22).
What are the key properties of methyl 3-[[1-(2-methoxyphenyl)cyclopropanecarbonyl]amino]benzoate?
methyl 3-[[1-(2-methoxyphenyl)cyclopropanecarbonyl]amino]benzoate has a molecular weight of 325.36 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[1-(2-methoxyphenyl)cyclopropanecarbonyl]amino]benzoate is sourced from PubChem (CID 110438930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).