methyl N-[4-[[[4-(4-carbamoylphenoxy)benzoyl]amino]methyl]phenyl]carbamate

C23H21N3O5 — CID 56548905

IUPACmethyl N-[4-[[[4-(4-carbamoylphenoxy)benzoyl]amino]methyl]phenyl]carbamate
SMILESCOC(=O)Nc1ccc(CNC(=O)c2ccc(Oc3ccc(C(N)=O)cc3)cc2)cc1
InChIInChI=1S/C23H21N3O5/c1-30-23(29)26-18-8-2-15(3-9-18)14-25-22(28)17-6-12-20(13-7-17)31-19-10-4-16(5-11-19)21(24)27/h2-13H,14H2,1H3,(H2,24,27)(H,25,28)(H,26,29)
InChIKeyQBFIKPTWSGYLLK-UHFFFAOYSA-N
MW419.44 g/mol
LogP3.69
Rot. Bonds7

About methyl N-[4-[[[4-(4-carbamoylphenoxy)benzoyl]amino]methyl]phenyl]carbamate

methyl N-[4-[[[4-(4-carbamoylphenoxy)benzoyl]amino]methyl]phenyl]carbamate (PubChem CID 56548905) has the molecular formula C23H21N3O5 and a molecular weight of 419.44 g/mol. Its IUPAC name is methyl N-[4-[[[4-(4-carbamoylphenoxy)benzoyl]amino]methyl]phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-[[[4-(4-carbamoylphenoxy)benzoyl]amino]methyl]phenyl]carbamate
PubChem CID56548905
Molecular FormulaC23H21N3O5
Molecular Weight419.44 g/mol
Exact Mass419.15
IUPAC Namemethyl N-[4-[[[4-(4-carbamoylphenoxy)benzoyl]amino]methyl]phenyl]carbamate
SMILESCOC(=O)Nc1ccc(CNC(=O)c2ccc(Oc3ccc(C(N)=O)cc3)cc2)cc1
InChIInChI=1S/C23H21N3O5/c1-30-23(29)26-18-8-2-15(3-9-18)14-25-22(28)17-6-12-20(13-7-17)31-19-10-4-16(5-11-19)21(24)27/h2-13H,14H2,1H3,(H2,24,27)(H,25,28)(H,26,29)
InChIKeyQBFIKPTWSGYLLK-UHFFFAOYSA-N
XLogP3.69
TPSA119.75 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.44
LogP ≤ 53.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

methyl N-[4-(benzylcarbamoyl)phenyl]carbamate
CID 803106
methyl N-[4-[[[4-(dimethylamino)benzoyl]amino]methyl]phenyl]carbamate
CID 60517999
4-[[4-(4-carbamoylphenoxy)benzoyl]amino]-N-propylbenzamide
CID 56549078
methyl 5-[[[4-(4-carbamoylphenoxy)benzoyl]amino]methyl]-2-methoxybenzoate
CID 56545707
4-[4-[[4-(2-methoxyethoxy)phenyl]carbamoyl]phenoxy]benzamide
CID 56545946
methyl N-[4-[[[4-(ethylsulfamoyl)benzoyl]amino]methyl]phenyl]carbamate
CID 55846819
1-N-[(4-chlorophenyl)methyl]-4-N-(4-methoxyphenyl)benzene-1,4-dicarboxamide
CID 109047359
ethyl N-[4-[(4-fluorophenyl)methylcarbamoyl]phenyl]carbamate
CID 26692275
N-[(4-fluorophenyl)methyl]-4-[(4-methoxybenzoyl)amino]benzamide
CID 87005885
N-benzyl-4-[4-(benzylcarbamoyl)phenoxy]benzamide
CID 2223099
methyl N-[4-(ethylcarbamoyl)phenyl]carbamate
CID 17123934
[4-[[4-[[(4-ethoxycarbonyloxybenzoyl)amino]methyl]phenyl]carbamoyl]phenyl] ethyl carbonate
CID 108931116

Frequently Asked Questions

What is the IUPAC name of methyl N-[4-[[[4-(4-carbamoylphenoxy)benzoyl]amino]methyl]phenyl]carbamate?
The IUPAC name of methyl N-[4-[[[4-(4-carbamoylphenoxy)benzoyl]amino]methyl]phenyl]carbamate (CID 56548905) is methyl N-[4-[[[4-(4-carbamoylphenoxy)benzoyl]amino]methyl]phenyl]carbamate.
What is the SMILES notation for methyl N-[4-[[[4-(4-carbamoylphenoxy)benzoyl]amino]methyl]phenyl]carbamate?
The canonical SMILES for methyl N-[4-[[[4-(4-carbamoylphenoxy)benzoyl]amino]methyl]phenyl]carbamate is COC(=O)Nc1ccc(CNC(=O)c2ccc(Oc3ccc(C(N)=O)cc3)cc2)cc1.
What is the InChIKey of methyl N-[4-[[[4-(4-carbamoylphenoxy)benzoyl]amino]methyl]phenyl]carbamate?
The InChIKey is QBFIKPTWSGYLLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O5/c1-30-23(29)26-18-8-2-15(3-9-18)14-25-22(28)17-6-12-20(13-7-17)31-19-10-4-16(5-11-19)21(24)27/h2-13H,14H2,1H3,(H2,24,27)(H,25,28)(H,26,29).
What are the key properties of methyl N-[4-[[[4-(4-carbamoylphenoxy)benzoyl]amino]methyl]phenyl]carbamate?
methyl N-[4-[[[4-(4-carbamoylphenoxy)benzoyl]amino]methyl]phenyl]carbamate has a molecular weight of 419.44 g/mol, XLogP of 3.69, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-[[[4-(4-carbamoylphenoxy)benzoyl]amino]methyl]phenyl]carbamate is sourced from PubChem (CID 56548905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).