2-(4-chlorophenoxy)-N-[[[2-(4-methoxyphenoxy)acetyl]amino]carbamoyl]acetamide

C18H18ClN3O6 — CID 10740185

IUPAC2-(4-chlorophenoxy)-N-[[[2-(4-methoxyphenoxy)acetyl]amino]carbamoyl]acetamide
SMILESCOc1ccc(OCC(=O)NNC(=O)NC(=O)COc2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H18ClN3O6/c1-26-13-6-8-15(9-7-13)28-11-17(24)21-22-18(25)20-16(23)10-27-14-4-2-12(19)3-5-14/h2-9H,10-11H2,1H3,(H,21,24)(H2,20,22,23,25)
InChIKeyLRKPKAYSGKMGHL-UHFFFAOYSA-N
MW407.81 g/mol
LogP1.66
Rot. Bonds7

About 2-(4-chlorophenoxy)-N-[[[2-(4-methoxyphenoxy)acetyl]amino]carbamoyl]acetamide

2-(4-chlorophenoxy)-N-[[[2-(4-methoxyphenoxy)acetyl]amino]carbamoyl]acetamide (PubChem CID 10740185) has the molecular formula C18H18ClN3O6 and a molecular weight of 407.81 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[[[2-(4-methoxyphenoxy)acetyl]amino]carbamoyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[[[2-(4-methoxyphenoxy)acetyl]amino]carbamoyl]acetamide
PubChem CID10740185
Molecular FormulaC18H18ClN3O6
Molecular Weight407.81 g/mol
Exact Mass407.09
IUPAC Name2-(4-chlorophenoxy)-N-[[[2-(4-methoxyphenoxy)acetyl]amino]carbamoyl]acetamide
SMILESCOc1ccc(OCC(=O)NNC(=O)NC(=O)COc2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H18ClN3O6/c1-26-13-6-8-15(9-7-13)28-11-17(24)21-22-18(25)20-16(23)10-27-14-4-2-12(19)3-5-14/h2-9H,10-11H2,1H3,(H,21,24)(H2,20,22,23,25)
InChIKeyLRKPKAYSGKMGHL-UHFFFAOYSA-N
XLogP1.66
TPSA114.99 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.81
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[2-(4-chlorophenoxy)acetyl]-3,5-dimethoxybenzohydrazide
CID 2710688
4-[(4-chlorophenoxy)methyl]-N'-[2-(4-methoxyphenoxy)acetyl]benzohydrazide
CID 27259570
N-[(4-chlorophenyl)methyl]-2-(4-methoxyphenoxy)acetamide
CID 809048
N'-(2-chloroacetyl)-2-(4-chlorophenoxy)acetohydrazide
CID 2468236
N-[4-[[2-(4-chlorophenoxy)acetyl]amino]cyclohexyl]-2-(4-methoxyphenoxy)acetamide
CID 121260490
1-[[2-(4-chlorophenoxy)acetyl]amino]-3-(4-methylphenyl)urea
CID 841025
1-N',9-N'-bis[2-(4-methoxyphenoxy)acetyl]nonanedihydrazide
CID 3303798
[2-[2-[2-(4-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl] 2-fluoro-4-methoxybenzoate
CID 7887713
2-(4-chlorophenoxy)-N-hydroxyacetamide
CID 11183280
2-(4-methoxyphenoxy)-N-methylacetamide
CID 606867
2-(4-chlorophenyl)-N'-[2-(4-ethoxyphenoxy)acetyl]acetohydrazide
CID 31467291
2-(2-chlorophenoxy)-N-[[[2-(4-methoxyphenoxy)acetyl]amino]carbamothioyl]acetamide
CID 3378134

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[[[2-(4-methoxyphenoxy)acetyl]amino]carbamoyl]acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[[[2-(4-methoxyphenoxy)acetyl]amino]carbamoyl]acetamide (CID 10740185) is 2-(4-chlorophenoxy)-N-[[[2-(4-methoxyphenoxy)acetyl]amino]carbamoyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[[[2-(4-methoxyphenoxy)acetyl]amino]carbamoyl]acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[[[2-(4-methoxyphenoxy)acetyl]amino]carbamoyl]acetamide is COc1ccc(OCC(=O)NNC(=O)NC(=O)COc2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[[[2-(4-methoxyphenoxy)acetyl]amino]carbamoyl]acetamide?
The InChIKey is LRKPKAYSGKMGHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O6/c1-26-13-6-8-15(9-7-13)28-11-17(24)21-22-18(25)20-16(23)10-27-14-4-2-12(19)3-5-14/h2-9H,10-11H2,1H3,(H,21,24)(H2,20,22,23,25).
What are the key properties of 2-(4-chlorophenoxy)-N-[[[2-(4-methoxyphenoxy)acetyl]amino]carbamoyl]acetamide?
2-(4-chlorophenoxy)-N-[[[2-(4-methoxyphenoxy)acetyl]amino]carbamoyl]acetamide has a molecular weight of 407.81 g/mol, XLogP of 1.66, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[[[2-(4-methoxyphenoxy)acetyl]amino]carbamoyl]acetamide is sourced from PubChem (CID 10740185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).