methyl 3-[(4-carbamoylbenzoyl)amino]-4-methylbenzoate

C17H16N2O4 — CID 30846823

IUPACmethyl 3-[(4-carbamoylbenzoyl)amino]-4-methylbenzoate
SMILESCOC(=O)c1ccc(C)c(NC(=O)c2ccc(C(N)=O)cc2)c1
InChIInChI=1S/C17H16N2O4/c1-10-3-4-13(17(22)23-2)9-14(10)19-16(21)12-7-5-11(6-8-12)15(18)20/h3-9H,1-2H3,(H2,18,20)(H,19,21)
InChIKeyZQJMYZXQGWRABU-UHFFFAOYSA-N
MW312.33 g/mol
LogP2.13
Rot. Bonds4

About methyl 3-[(4-carbamoylbenzoyl)amino]-4-methylbenzoate

methyl 3-[(4-carbamoylbenzoyl)amino]-4-methylbenzoate (PubChem CID 30846823) has the molecular formula C17H16N2O4 and a molecular weight of 312.33 g/mol. Its IUPAC name is methyl 3-[(4-carbamoylbenzoyl)amino]-4-methylbenzoate.

Molecular Properties

Compound Namemethyl 3-[(4-carbamoylbenzoyl)amino]-4-methylbenzoate
PubChem CID30846823
Molecular FormulaC17H16N2O4
Molecular Weight312.33 g/mol
Exact Mass312.11
IUPAC Namemethyl 3-[(4-carbamoylbenzoyl)amino]-4-methylbenzoate
SMILESCOC(=O)c1ccc(C)c(NC(=O)c2ccc(C(N)=O)cc2)c1
InChIInChI=1S/C17H16N2O4/c1-10-3-4-13(17(22)23-2)9-14(10)19-16(21)12-7-5-11(6-8-12)15(18)20/h3-9H,1-2H3,(H2,18,20)(H,19,21)
InChIKeyZQJMYZXQGWRABU-UHFFFAOYSA-N
XLogP2.13
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-methyl-3-(pyridine-4-carbonylamino)benzoate
CID 737265
methyl 3-[(4-acetyloxybenzoyl)amino]-4-methylbenzoate
CID 9349702
methyl 3-[(3,5-dimethoxybenzoyl)amino]-4-methylbenzoate
CID 967197
methyl 3-[(3,5-difluorobenzoyl)amino]-4-methylbenzoate
CID 8919868
methyl 3-[(3-methoxy-4-methylbenzoyl)amino]-4-methylbenzoate
CID 16604939
methyl 3-(methoxycarbonylamino)-4-methylbenzoate
CID 17172948
methyl 4-methyl-3-[(2,4,6-trimethylbenzoyl)amino]benzoate
CID 9439805
methyl 4-methyl-3-[[4-(methylsulfonylmethyl)benzoyl]amino]benzoate
CID 4822407
methyl 3-[[4-(acetamidomethyl)benzoyl]amino]-4-methylbenzoate
CID 17439157
methyl 3-[[4-[dimethylsulfamoyl(methyl)amino]benzoyl]amino]-4-methylbenzoate
CID 92664160
methyl 3-(ethoxycarbonylamino)-4-methylbenzoate
CID 3309818
methyl 3-[(6-fluoropyridine-3-carbonyl)amino]-4-methylbenzoate
CID 63972775

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(4-carbamoylbenzoyl)amino]-4-methylbenzoate?
The IUPAC name of methyl 3-[(4-carbamoylbenzoyl)amino]-4-methylbenzoate (CID 30846823) is methyl 3-[(4-carbamoylbenzoyl)amino]-4-methylbenzoate.
What is the SMILES notation for methyl 3-[(4-carbamoylbenzoyl)amino]-4-methylbenzoate?
The canonical SMILES for methyl 3-[(4-carbamoylbenzoyl)amino]-4-methylbenzoate is COC(=O)c1ccc(C)c(NC(=O)c2ccc(C(N)=O)cc2)c1.
What is the InChIKey of methyl 3-[(4-carbamoylbenzoyl)amino]-4-methylbenzoate?
The InChIKey is ZQJMYZXQGWRABU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4/c1-10-3-4-13(17(22)23-2)9-14(10)19-16(21)12-7-5-11(6-8-12)15(18)20/h3-9H,1-2H3,(H2,18,20)(H,19,21).
What are the key properties of methyl 3-[(4-carbamoylbenzoyl)amino]-4-methylbenzoate?
methyl 3-[(4-carbamoylbenzoyl)amino]-4-methylbenzoate has a molecular weight of 312.33 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(4-carbamoylbenzoyl)amino]-4-methylbenzoate is sourced from PubChem (CID 30846823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).