methyl 4-[(2-methoxy-5-methylbenzoyl)amino]benzoate

C17H17NO4 — CID 9043924

IUPACmethyl 4-[(2-methoxy-5-methylbenzoyl)amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2cc(C)ccc2OC)cc1
InChIInChI=1S/C17H17NO4/c1-11-4-9-15(21-2)14(10-11)16(19)18-13-7-5-12(6-8-13)17(20)22-3/h4-10H,1-3H3,(H,18,19)
InChIKeyUGPBCPAWQIZPLB-UHFFFAOYSA-N
MW299.33 g/mol
LogP3.04
Rot. Bonds4

About methyl 4-[(2-methoxy-5-methylbenzoyl)amino]benzoate

methyl 4-[(2-methoxy-5-methylbenzoyl)amino]benzoate (PubChem CID 9043924) has the molecular formula C17H17NO4 and a molecular weight of 299.33 g/mol. Its IUPAC name is methyl 4-[(2-methoxy-5-methylbenzoyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[(2-methoxy-5-methylbenzoyl)amino]benzoate
PubChem CID9043924
Molecular FormulaC17H17NO4
Molecular Weight299.33 g/mol
Exact Mass299.12
IUPAC Namemethyl 4-[(2-methoxy-5-methylbenzoyl)amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2cc(C)ccc2OC)cc1
InChIInChI=1S/C17H17NO4/c1-11-4-9-15(21-2)14(10-11)16(19)18-13-7-5-12(6-8-13)17(20)22-3/h4-10H,1-3H3,(H,18,19)
InChIKeyUGPBCPAWQIZPLB-UHFFFAOYSA-N
XLogP3.04
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[(2-methoxy-5-methylphenyl)carbamoylamino]benzoate
CID 108992050
2-methoxy-5-methyl-N-[4-(methylaminomethyl)phenyl]benzamide
CID 106910011
propan-2-yl 4-[(5-bromo-2-methoxybenzoyl)amino]benzoate
CID 17050502
N-(3,4-difluorophenyl)-2-methoxy-5-methylbenzamide
CID 9210303
N-[4-(2-chloroethyl)phenyl]-2-methoxy-5-methylbenzamide
CID 114299336
4-methoxy-1-N,3-N-bis(4-methoxyphenyl)benzene-1,3-dicarboxamide
CID 71608233
2-methoxy-5-methyl-N-(4-methyl-3-sulfamoylphenyl)benzamide
CID 9257170
N-(3-chloro-4-hydroxyphenyl)-2-methoxy-5-methylbenzamide
CID 63937740
ethyl 2-[4-[(2-methoxy-5-methylbenzoyl)amino]phenyl]acetate
CID 23453048
1-N,3-N-bis(4-tert-butylphenyl)-4-methoxybenzene-1,3-dicarboxamide
CID 71761515
2,5-dimethoxy-N-(4-methoxyphenyl)benzamide
CID 8574615
N-(4-acetylphenyl)-5-ethyl-2-methoxybenzamide
CID 110762005

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(2-methoxy-5-methylbenzoyl)amino]benzoate?
The IUPAC name of methyl 4-[(2-methoxy-5-methylbenzoyl)amino]benzoate (CID 9043924) is methyl 4-[(2-methoxy-5-methylbenzoyl)amino]benzoate.
What is the SMILES notation for methyl 4-[(2-methoxy-5-methylbenzoyl)amino]benzoate?
The canonical SMILES for methyl 4-[(2-methoxy-5-methylbenzoyl)amino]benzoate is COC(=O)c1ccc(NC(=O)c2cc(C)ccc2OC)cc1.
What is the InChIKey of methyl 4-[(2-methoxy-5-methylbenzoyl)amino]benzoate?
The InChIKey is UGPBCPAWQIZPLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO4/c1-11-4-9-15(21-2)14(10-11)16(19)18-13-7-5-12(6-8-13)17(20)22-3/h4-10H,1-3H3,(H,18,19).
What are the key properties of methyl 4-[(2-methoxy-5-methylbenzoyl)amino]benzoate?
methyl 4-[(2-methoxy-5-methylbenzoyl)amino]benzoate has a molecular weight of 299.33 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(2-methoxy-5-methylbenzoyl)amino]benzoate is sourced from PubChem (CID 9043924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).