methyl 3-[(3-methoxy-4-methylbenzoyl)amino]-4-methylbenzoate

C18H19NO4 — CID 16604939

IUPACmethyl 3-[(3-methoxy-4-methylbenzoyl)amino]-4-methylbenzoate
SMILESCOC(=O)c1ccc(C)c(NC(=O)c2ccc(C)c(OC)c2)c1
InChIInChI=1S/C18H19NO4/c1-11-5-8-14(18(21)23-4)9-15(11)19-17(20)13-7-6-12(2)16(10-13)22-3/h5-10H,1-4H3,(H,19,20)
InChIKeyGUEILKDAHBYJLW-UHFFFAOYSA-N
MW313.35 g/mol
LogP3.35
Rot. Bonds4

About methyl 3-[(3-methoxy-4-methylbenzoyl)amino]-4-methylbenzoate

methyl 3-[(3-methoxy-4-methylbenzoyl)amino]-4-methylbenzoate (PubChem CID 16604939) has the molecular formula C18H19NO4 and a molecular weight of 313.35 g/mol. Its IUPAC name is methyl 3-[(3-methoxy-4-methylbenzoyl)amino]-4-methylbenzoate.

Molecular Properties

Compound Namemethyl 3-[(3-methoxy-4-methylbenzoyl)amino]-4-methylbenzoate
PubChem CID16604939
Molecular FormulaC18H19NO4
Molecular Weight313.35 g/mol
Exact Mass313.13
IUPAC Namemethyl 3-[(3-methoxy-4-methylbenzoyl)amino]-4-methylbenzoate
SMILESCOC(=O)c1ccc(C)c(NC(=O)c2ccc(C)c(OC)c2)c1
InChIInChI=1S/C18H19NO4/c1-11-5-8-14(18(21)23-4)9-15(11)19-17(20)13-7-6-12(2)16(10-13)22-3/h5-10H,1-4H3,(H,19,20)
InChIKeyGUEILKDAHBYJLW-UHFFFAOYSA-N
XLogP3.35
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[(3,5-dimethoxybenzoyl)amino]-4-methylbenzoate
CID 967197
methyl 3-[(4-carbamoylbenzoyl)amino]-4-methylbenzoate
CID 30846823
N-(5-amino-2,4-dimethylphenyl)-3-methoxy-4-methylbenzamide
CID 104756886
methyl 4-methyl-3-(pyridine-4-carbonylamino)benzoate
CID 737265
3-acetamido-N-(4,5-dimethoxy-2-methylphenyl)-4-methylbenzamide
CID 46489735
dimethyl 2-[(3,4-dimethylbenzoyl)amino]benzene-1,4-dicarboxylate
CID 4228000
methyl 3-[(3,5-difluorobenzoyl)amino]-4-methylbenzoate
CID 8919868
N-(2-amino-4,5-dimethylphenyl)-3-methoxy-4-methylbenzamide
CID 62099101
methyl 3-[(3,5-dimethoxy-4-phenylmethoxybenzoyl)amino]-4-methylbenzoate
CID 16567479
N-(5-bromo-4-fluoro-2-methylphenyl)-3-methoxy-4-methylbenzamide
CID 103274645
methyl 3-[(6-fluoropyridine-3-carbonyl)amino]-4-methylbenzoate
CID 63972775
methyl 3-(methoxycarbonylamino)-4-methylbenzoate
CID 17172948

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(3-methoxy-4-methylbenzoyl)amino]-4-methylbenzoate?
The IUPAC name of methyl 3-[(3-methoxy-4-methylbenzoyl)amino]-4-methylbenzoate (CID 16604939) is methyl 3-[(3-methoxy-4-methylbenzoyl)amino]-4-methylbenzoate.
What is the SMILES notation for methyl 3-[(3-methoxy-4-methylbenzoyl)amino]-4-methylbenzoate?
The canonical SMILES for methyl 3-[(3-methoxy-4-methylbenzoyl)amino]-4-methylbenzoate is COC(=O)c1ccc(C)c(NC(=O)c2ccc(C)c(OC)c2)c1.
What is the InChIKey of methyl 3-[(3-methoxy-4-methylbenzoyl)amino]-4-methylbenzoate?
The InChIKey is GUEILKDAHBYJLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO4/c1-11-5-8-14(18(21)23-4)9-15(11)19-17(20)13-7-6-12(2)16(10-13)22-3/h5-10H,1-4H3,(H,19,20).
What are the key properties of methyl 3-[(3-methoxy-4-methylbenzoyl)amino]-4-methylbenzoate?
methyl 3-[(3-methoxy-4-methylbenzoyl)amino]-4-methylbenzoate has a molecular weight of 313.35 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(3-methoxy-4-methylbenzoyl)amino]-4-methylbenzoate is sourced from PubChem (CID 16604939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).