methyl 4-(N-(4-methoxycarbonylphenyl)-4-methylanilino)benzoate

C23H21NO4 — CID 102198007

IUPACmethyl 4-(N-(4-methoxycarbonylphenyl)-4-methylanilino)benzoate
SMILESCOC(=O)c1ccc(N(c2ccc(C)cc2)c2ccc(C(=O)OC)cc2)cc1
InChIInChI=1S/C23H21NO4/c1-16-4-10-19(11-5-16)24(20-12-6-17(7-13-20)22(25)27-2)21-14-8-18(9-15-21)23(26)28-3/h4-15H,1-3H3
InChIKeyJBMKWCWEOUDRAK-UHFFFAOYSA-N
MW375.42 g/mol
LogP5.04
Rot. Bonds5

About methyl 4-(N-(4-methoxycarbonylphenyl)-4-methylanilino)benzoate

methyl 4-(N-(4-methoxycarbonylphenyl)-4-methylanilino)benzoate (PubChem CID 102198007) has the molecular formula C23H21NO4 and a molecular weight of 375.42 g/mol. Its IUPAC name is methyl 4-(N-(4-methoxycarbonylphenyl)-4-methylanilino)benzoate.

Molecular Properties

Compound Namemethyl 4-(N-(4-methoxycarbonylphenyl)-4-methylanilino)benzoate
PubChem CID102198007
Molecular FormulaC23H21NO4
Molecular Weight375.42 g/mol
Exact Mass375.15
IUPAC Namemethyl 4-(N-(4-methoxycarbonylphenyl)-4-methylanilino)benzoate
SMILESCOC(=O)c1ccc(N(c2ccc(C)cc2)c2ccc(C(=O)OC)cc2)cc1
InChIInChI=1S/C23H21NO4/c1-16-4-10-19(11-5-16)24(20-12-6-17(7-13-20)22(25)27-2)21-14-8-18(9-15-21)23(26)28-3/h4-15H,1-3H3
InChIKeyJBMKWCWEOUDRAK-UHFFFAOYSA-N
XLogP5.04
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.42
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-(4-methoxycarbonyl-N-(4-methoxycarbonylphenyl)anilino)benzoate
CID 143837659
methyl 4-methylbenzoate
CID 91113291
methyl 4-methylbenzoate
CID 7455
methyl 4-(4-tert-butyl-N-(4-tert-butylphenyl)anilino)benzoate
CID 134274011
N-ethylethanamine;methyl 4-methylbenzoate
CID 18508179
hexane;methyl 4-methylbenzoate
CID 143689226
methyl 4-methylbenzoate tritetrafluoroborate
CID 175179502
methyl 4-(4-methoxycarbonyl-N-methylanilino)benzoate
CID 11335546
methanol;methyl 4-methylbenzoate;toluene
CID 142226695
methyl 4-[(4-methylbenzoyl)carbamoyl]benzoate
CID 175211628
N,4-dimethylbenzamide;ethane;methyl 4-methylbenzoate
CID 143418770
methyl 4-[3-[bis[9-(4-methylphenyl)carbazol-3-yl]amino]carbazol-9-yl]benzoate
CID 126585601

Frequently Asked Questions

What is the IUPAC name of methyl 4-(N-(4-methoxycarbonylphenyl)-4-methylanilino)benzoate?
The IUPAC name of methyl 4-(N-(4-methoxycarbonylphenyl)-4-methylanilino)benzoate (CID 102198007) is methyl 4-(N-(4-methoxycarbonylphenyl)-4-methylanilino)benzoate.
What is the SMILES notation for methyl 4-(N-(4-methoxycarbonylphenyl)-4-methylanilino)benzoate?
The canonical SMILES for methyl 4-(N-(4-methoxycarbonylphenyl)-4-methylanilino)benzoate is COC(=O)c1ccc(N(c2ccc(C)cc2)c2ccc(C(=O)OC)cc2)cc1.
What is the InChIKey of methyl 4-(N-(4-methoxycarbonylphenyl)-4-methylanilino)benzoate?
The InChIKey is JBMKWCWEOUDRAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO4/c1-16-4-10-19(11-5-16)24(20-12-6-17(7-13-20)22(25)27-2)21-14-8-18(9-15-21)23(26)28-3/h4-15H,1-3H3.
What are the key properties of methyl 4-(N-(4-methoxycarbonylphenyl)-4-methylanilino)benzoate?
methyl 4-(N-(4-methoxycarbonylphenyl)-4-methylanilino)benzoate has a molecular weight of 375.42 g/mol, XLogP of 5.04, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(N-(4-methoxycarbonylphenyl)-4-methylanilino)benzoate is sourced from PubChem (CID 102198007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).