methyl 3-[[3-(cyclopropanecarbonylamino)benzoyl]amino]-4-methylbenzoate

C20H20N2O4 — CID 34143285

IUPACmethyl 3-[[3-(cyclopropanecarbonylamino)benzoyl]amino]-4-methylbenzoate
SMILESCOC(=O)c1ccc(C)c(NC(=O)c2cccc(NC(=O)C3CC3)c2)c1
InChIInChI=1S/C20H20N2O4/c1-12-6-7-15(20(25)26-2)11-17(12)22-19(24)14-4-3-5-16(10-14)21-18(23)13-8-9-13/h3-7,10-11,13H,8-9H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyYXJPBISRVWFYIF-UHFFFAOYSA-N
MW352.39 g/mol
LogP3.38
Rot. Bonds5

About methyl 3-[[3-(cyclopropanecarbonylamino)benzoyl]amino]-4-methylbenzoate

methyl 3-[[3-(cyclopropanecarbonylamino)benzoyl]amino]-4-methylbenzoate (PubChem CID 34143285) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is methyl 3-[[3-(cyclopropanecarbonylamino)benzoyl]amino]-4-methylbenzoate.

Molecular Properties

Compound Namemethyl 3-[[3-(cyclopropanecarbonylamino)benzoyl]amino]-4-methylbenzoate
PubChem CID34143285
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC Namemethyl 3-[[3-(cyclopropanecarbonylamino)benzoyl]amino]-4-methylbenzoate
SMILESCOC(=O)c1ccc(C)c(NC(=O)c2cccc(NC(=O)C3CC3)c2)c1
InChIInChI=1S/C20H20N2O4/c1-12-6-7-15(20(25)26-2)11-17(12)22-19(24)14-4-3-5-16(10-14)21-18(23)13-8-9-13/h3-7,10-11,13H,8-9H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyYXJPBISRVWFYIF-UHFFFAOYSA-N
XLogP3.38
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(cyclopropanecarbonylamino)-2-methylphenyl]-3-methylsulfonylbenzamide
CID 55711603
N-(3-chloro-4-methylphenyl)-3-(cyclopropanecarbonylamino)benzamide
CID 37032402
N-(5-chloro-2,4-dimethoxyphenyl)-3-(cyclopropanecarbonylamino)benzamide
CID 36542869
methyl 3-[[4-(butylcarbamoyl)cyclohexanecarbonyl]amino]benzoate
CID 109145173
3-(cyclopropanecarbonylamino)-N-(2-hydroxyphenyl)benzamide
CID 29260677
N-[3-(cyclopropanecarbonylamino)phenyl]-3-fluoro-4-methylbenzamide
CID 46578980
1-N,4-N-bis[3-(methylcarbamoyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 17233453
methyl 3-[[3-(cyclopropylcarbamoyl)benzoyl]amino]benzoate
CID 109050811
3-(cyclopropanecarbonylamino)-N-propan-2-ylbenzamide
CID 17197396
3-(cyclopropanecarbonylamino)-N-[3-(cyclopropylcarbamoyl)phenyl]benzamide
CID 30127139
N-[5-(cyclopropanecarbonylamino)-2-methylphenyl]-2-methyl-3H-benzimidazole-5-carboxamide
CID 75450140
1-N,4-N-bis[3-(tert-butylcarbamoyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 28639774

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[3-(cyclopropanecarbonylamino)benzoyl]amino]-4-methylbenzoate?
The IUPAC name of methyl 3-[[3-(cyclopropanecarbonylamino)benzoyl]amino]-4-methylbenzoate (CID 34143285) is methyl 3-[[3-(cyclopropanecarbonylamino)benzoyl]amino]-4-methylbenzoate.
What is the SMILES notation for methyl 3-[[3-(cyclopropanecarbonylamino)benzoyl]amino]-4-methylbenzoate?
The canonical SMILES for methyl 3-[[3-(cyclopropanecarbonylamino)benzoyl]amino]-4-methylbenzoate is COC(=O)c1ccc(C)c(NC(=O)c2cccc(NC(=O)C3CC3)c2)c1.
What is the InChIKey of methyl 3-[[3-(cyclopropanecarbonylamino)benzoyl]amino]-4-methylbenzoate?
The InChIKey is YXJPBISRVWFYIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4/c1-12-6-7-15(20(25)26-2)11-17(12)22-19(24)14-4-3-5-16(10-14)21-18(23)13-8-9-13/h3-7,10-11,13H,8-9H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of methyl 3-[[3-(cyclopropanecarbonylamino)benzoyl]amino]-4-methylbenzoate?
methyl 3-[[3-(cyclopropanecarbonylamino)benzoyl]amino]-4-methylbenzoate has a molecular weight of 352.39 g/mol, XLogP of 3.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[3-(cyclopropanecarbonylamino)benzoyl]amino]-4-methylbenzoate is sourced from PubChem (CID 34143285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).