methyl 3-[[3-(cyclopropylcarbamoyl)benzoyl]amino]benzoate

C19H18N2O4 — CID 109050811

IUPACmethyl 3-[[3-(cyclopropylcarbamoyl)benzoyl]amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)c2cccc(C(=O)NC3CC3)c2)c1
InChIInChI=1S/C19H18N2O4/c1-25-19(24)14-6-3-7-16(11-14)21-18(23)13-5-2-4-12(10-13)17(22)20-15-8-9-15/h2-7,10-11,15H,8-9H2,1H3,(H,20,22)(H,21,23)
InChIKeyRZUHILQXFVGLMD-UHFFFAOYSA-N
MW338.36 g/mol
LogP2.62
Rot. Bonds5

About methyl 3-[[3-(cyclopropylcarbamoyl)benzoyl]amino]benzoate

methyl 3-[[3-(cyclopropylcarbamoyl)benzoyl]amino]benzoate (PubChem CID 109050811) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is methyl 3-[[3-(cyclopropylcarbamoyl)benzoyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 3-[[3-(cyclopropylcarbamoyl)benzoyl]amino]benzoate
PubChem CID109050811
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC Namemethyl 3-[[3-(cyclopropylcarbamoyl)benzoyl]amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)c2cccc(C(=O)NC3CC3)c2)c1
InChIInChI=1S/C19H18N2O4/c1-25-19(24)14-6-3-7-16(11-14)21-18(23)13-5-2-4-12(10-13)17(22)20-15-8-9-15/h2-7,10-11,15H,8-9H2,1H3,(H,20,22)(H,21,23)
InChIKeyRZUHILQXFVGLMD-UHFFFAOYSA-N
XLogP2.62
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[[3-(cycloheptylcarbamoyl)benzoyl]amino]benzoate
CID 109056131
methyl 3-[2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethoxy]benzoate
CID 42157013
N-[3-(cyclopropylcarbamoyl)phenyl]-3,5-dimethylbenzamide
CID 16567528
1-N-(3-acetylphenyl)-3-N-cyclopentylbenzene-1,3-dicarboxamide
CID 109051927
3-N-cyclopropyl-1-N-(3,4-dimethoxyphenyl)benzene-1,3-dicarboxamide
CID 109050802
3-[(4-tert-butylbenzoyl)amino]-N-cyclopropylbenzamide
CID 26110808
3-(cyclopropanecarbonylamino)-N-[3-(cyclopropylcarbamoyl)phenyl]benzamide
CID 30127139
methyl 3-[[4-(trifluoromethyl)cyclohexyl]carbamoyl]benzoate
CID 47048188
N-cyclopropyl-3-[(3-phenoxybenzoyl)amino]benzamide
CID 9438583
1-N-(3-chloro-4-methoxyphenyl)-3-N-cyclopropylbenzene-1,3-dicarboxamide
CID 109050788
methyl 3-[[2-(cyclopropylamino)pyrimidine-5-carbonyl]amino]benzoate
CID 109247601
3-(carbamoylamino)-N-cyclopropylbenzamide
CID 9210111

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[3-(cyclopropylcarbamoyl)benzoyl]amino]benzoate?
The IUPAC name of methyl 3-[[3-(cyclopropylcarbamoyl)benzoyl]amino]benzoate (CID 109050811) is methyl 3-[[3-(cyclopropylcarbamoyl)benzoyl]amino]benzoate.
What is the SMILES notation for methyl 3-[[3-(cyclopropylcarbamoyl)benzoyl]amino]benzoate?
The canonical SMILES for methyl 3-[[3-(cyclopropylcarbamoyl)benzoyl]amino]benzoate is COC(=O)c1cccc(NC(=O)c2cccc(C(=O)NC3CC3)c2)c1.
What is the InChIKey of methyl 3-[[3-(cyclopropylcarbamoyl)benzoyl]amino]benzoate?
The InChIKey is RZUHILQXFVGLMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4/c1-25-19(24)14-6-3-7-16(11-14)21-18(23)13-5-2-4-12(10-13)17(22)20-15-8-9-15/h2-7,10-11,15H,8-9H2,1H3,(H,20,22)(H,21,23).
What are the key properties of methyl 3-[[3-(cyclopropylcarbamoyl)benzoyl]amino]benzoate?
methyl 3-[[3-(cyclopropylcarbamoyl)benzoyl]amino]benzoate has a molecular weight of 338.36 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[3-(cyclopropylcarbamoyl)benzoyl]amino]benzoate is sourced from PubChem (CID 109050811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).