methyl 5-[[[4-(4-carbamoylphenoxy)benzoyl]amino]methyl]-2-methoxybenzoate

C24H22N2O6 — CID 56545707

IUPACmethyl 5-[[[4-(4-carbamoylphenoxy)benzoyl]amino]methyl]-2-methoxybenzoate
SMILESCOC(=O)c1cc(CNC(=O)c2ccc(Oc3ccc(C(N)=O)cc3)cc2)ccc1OC
InChIInChI=1S/C24H22N2O6/c1-30-21-12-3-15(13-20(21)24(29)31-2)14-26-23(28)17-6-10-19(11-7-17)32-18-8-4-16(5-9-18)22(25)27/h3-13H,14H2,1-2H3,(H2,25,27)(H,26,28)
InChIKeyANCPTZFZPRMNAZ-UHFFFAOYSA-N
MW434.45 g/mol
LogP3.30
Rot. Bonds8

About methyl 5-[[[4-(4-carbamoylphenoxy)benzoyl]amino]methyl]-2-methoxybenzoate

methyl 5-[[[4-(4-carbamoylphenoxy)benzoyl]amino]methyl]-2-methoxybenzoate (PubChem CID 56545707) has the molecular formula C24H22N2O6 and a molecular weight of 434.45 g/mol. Its IUPAC name is methyl 5-[[[4-(4-carbamoylphenoxy)benzoyl]amino]methyl]-2-methoxybenzoate.

Molecular Properties

Compound Namemethyl 5-[[[4-(4-carbamoylphenoxy)benzoyl]amino]methyl]-2-methoxybenzoate
PubChem CID56545707
Molecular FormulaC24H22N2O6
Molecular Weight434.45 g/mol
Exact Mass434.15
IUPAC Namemethyl 5-[[[4-(4-carbamoylphenoxy)benzoyl]amino]methyl]-2-methoxybenzoate
SMILESCOC(=O)c1cc(CNC(=O)c2ccc(Oc3ccc(C(N)=O)cc3)cc2)ccc1OC
InChIInChI=1S/C24H22N2O6/c1-30-21-12-3-15(13-20(21)24(29)31-2)14-26-23(28)17-6-10-19(11-7-17)32-18-8-4-16(5-9-18)22(25)27/h3-13H,14H2,1-2H3,(H2,25,27)(H,26,28)
InChIKeyANCPTZFZPRMNAZ-UHFFFAOYSA-N
XLogP3.30
TPSA116.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.45
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 5-[[[4-(4-carbamoylphenoxy)benzoyl]amino]methyl]-2-methoxybenzoate with MolForge

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Related Compounds

methyl 5-[[(4-fluorobenzoyl)amino]methyl]-2-methoxybenzoate
CID 18113005
methyl 5-[(furan-3-carbonylamino)methyl]-2-methoxybenzoate
CID 51265623
N-[[4-(4-carbamoylphenoxy)phenyl]methyl]-5-[(2,4-dioxoimidazolidin-1-yl)methyl]-2-methoxybenzamide
CID 66585406
4-(aminomethyl)-N-[(3,4-dimethoxyphenyl)methyl]benzamide
CID 23087734
methyl N-[4-[[[4-(4-carbamoylphenoxy)benzoyl]amino]methyl]phenyl]carbamate
CID 56548905
methyl 2-methoxy-5-[[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]methyl]benzoate
CID 18113019
methyl 5-[(2-ethylbutanoylamino)methyl]-2-methoxybenzoate
CID 78781017
methyl 2-[2-methoxycarbonyl-4-[(4-methoxyphenyl)methyl]phenoxy]-5-[(4-methoxyphenyl)methyl]benzoate;methyl 2-methoxy-5-[[4-[4-[(4-methoxy-3-methoxycarbonylphenyl)methyl]phenoxy]phenyl]methyl]benzoate
CID 160887785
N-[(3,4-dimethoxyphenyl)methyl]-4-sulfanylbenzamide
CID 107023018
4-tert-butyl-N-[(3,4-dimethoxyphenyl)methyl]benzamide
CID 8852512
methyl 5-[[(5-acetylthiophene-2-carbonyl)amino]methyl]-2-methoxybenzoate
CID 18113017
4-[4-[(3-butoxyphenyl)methylcarbamoyl]phenoxy]benzamide
CID 56548843

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[[4-(4-carbamoylphenoxy)benzoyl]amino]methyl]-2-methoxybenzoate?
The IUPAC name of methyl 5-[[[4-(4-carbamoylphenoxy)benzoyl]amino]methyl]-2-methoxybenzoate (CID 56545707) is methyl 5-[[[4-(4-carbamoylphenoxy)benzoyl]amino]methyl]-2-methoxybenzoate.
What is the SMILES notation for methyl 5-[[[4-(4-carbamoylphenoxy)benzoyl]amino]methyl]-2-methoxybenzoate?
The canonical SMILES for methyl 5-[[[4-(4-carbamoylphenoxy)benzoyl]amino]methyl]-2-methoxybenzoate is COC(=O)c1cc(CNC(=O)c2ccc(Oc3ccc(C(N)=O)cc3)cc2)ccc1OC.
What is the InChIKey of methyl 5-[[[4-(4-carbamoylphenoxy)benzoyl]amino]methyl]-2-methoxybenzoate?
The InChIKey is ANCPTZFZPRMNAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O6/c1-30-21-12-3-15(13-20(21)24(29)31-2)14-26-23(28)17-6-10-19(11-7-17)32-18-8-4-16(5-9-18)22(25)27/h3-13H,14H2,1-2H3,(H2,25,27)(H,26,28).
What are the key properties of methyl 5-[[[4-(4-carbamoylphenoxy)benzoyl]amino]methyl]-2-methoxybenzoate?
methyl 5-[[[4-(4-carbamoylphenoxy)benzoyl]amino]methyl]-2-methoxybenzoate has a molecular weight of 434.45 g/mol, XLogP of 3.30, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[[4-(4-carbamoylphenoxy)benzoyl]amino]methyl]-2-methoxybenzoate is sourced from PubChem (CID 56545707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).