methyl 2-[2-[(2-amino-2-oxoethyl)-[(3-methoxyphenyl)methyl]carbamoyl]phenoxy]acetate

C20H22N2O6 — CID 144888078

IUPACmethyl 2-[2-[(2-amino-2-oxoethyl)-[(3-methoxyphenyl)methyl]carbamoyl]phenoxy]acetate
SMILESCOC(=O)COc1ccccc1C(=O)N(CC(N)=O)Cc1cccc(OC)c1
InChIInChI=1S/C20H22N2O6/c1-26-15-7-5-6-14(10-15)11-22(12-18(21)23)20(25)16-8-3-4-9-17(16)28-13-19(24)27-2/h3-10H,11-13H2,1-2H3,(H2,21,23)
InChIKeyNBDCDQBKDNYYLH-UHFFFAOYSA-N
MW386.40 g/mol
LogP1.37
Rot. Bonds9

About methyl 2-[2-[(2-amino-2-oxoethyl)-[(3-methoxyphenyl)methyl]carbamoyl]phenoxy]acetate

methyl 2-[2-[(2-amino-2-oxoethyl)-[(3-methoxyphenyl)methyl]carbamoyl]phenoxy]acetate (PubChem CID 144888078) has the molecular formula C20H22N2O6 and a molecular weight of 386.40 g/mol. Its IUPAC name is methyl 2-[2-[(2-amino-2-oxoethyl)-[(3-methoxyphenyl)methyl]carbamoyl]phenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[2-[(2-amino-2-oxoethyl)-[(3-methoxyphenyl)methyl]carbamoyl]phenoxy]acetate
PubChem CID144888078
Molecular FormulaC20H22N2O6
Molecular Weight386.40 g/mol
Exact Mass386.15
IUPAC Namemethyl 2-[2-[(2-amino-2-oxoethyl)-[(3-methoxyphenyl)methyl]carbamoyl]phenoxy]acetate
SMILESCOC(=O)COc1ccccc1C(=O)N(CC(N)=O)Cc1cccc(OC)c1
InChIInChI=1S/C20H22N2O6/c1-26-15-7-5-6-14(10-15)11-22(12-18(21)23)20(25)16-8-3-4-9-17(16)28-13-19(24)27-2/h3-10H,11-13H2,1-2H3,(H2,21,23)
InChIKeyNBDCDQBKDNYYLH-UHFFFAOYSA-N
XLogP1.37
TPSA108.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.40
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 2-[2-[(2-amino-2-oxoethyl)-[(3-methoxyphenyl)methyl]carbamoyl]phenoxy]acetate with MolForge

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Related Compounds

N-(3-aminopropyl)-N-[(3-methoxyphenyl)methyl]-2-phenylmethoxybenzamide
CID 143404934
3-amino-N-(2-amino-2-oxoethyl)-N-[(3-methoxyphenyl)methyl]benzamide
CID 144888017
methyl 2-(2-carbamoylphenoxy)acetate
CID 2772027
methyl 2-[2-[2-(dimethylamino)acetyl]phenoxy]acetate
CID 162353946
4-(2-amino-2-oxoethoxy)-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide
CID 166194594
[3-[[(2-methoxybenzoyl)-(2-methylpropyl)amino]methyl]phenyl] methanesulfonate
CID 3430824
2-(2-methoxy-2-oxoethoxy)benzoic acid
CID 11218054
1,1-dibenzyl-3-[(3-methoxyphenyl)methyl]urea
CID 108898350
N-ethyl-2-[[2-(2-methoxyphenoxy)acetyl]-[(3-methoxyphenyl)methyl]amino]-3-phenylpropanamide
CID 132616203
methyl 2-[(3-methoxyphenyl)methyl-methylamino]benzoate
CID 60694372
2-[[2-(2-methoxyphenoxy)acetyl]-[(3-methoxyphenyl)methyl]amino]-N-methylbutanamide
CID 132661195
2-[[2-(4-methylphenoxy)benzoyl]-[(3-propan-2-yloxyphenyl)methyl]amino]acetic acid
CID 110165592

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[(2-amino-2-oxoethyl)-[(3-methoxyphenyl)methyl]carbamoyl]phenoxy]acetate?
The IUPAC name of methyl 2-[2-[(2-amino-2-oxoethyl)-[(3-methoxyphenyl)methyl]carbamoyl]phenoxy]acetate (CID 144888078) is methyl 2-[2-[(2-amino-2-oxoethyl)-[(3-methoxyphenyl)methyl]carbamoyl]phenoxy]acetate.
What is the SMILES notation for methyl 2-[2-[(2-amino-2-oxoethyl)-[(3-methoxyphenyl)methyl]carbamoyl]phenoxy]acetate?
The canonical SMILES for methyl 2-[2-[(2-amino-2-oxoethyl)-[(3-methoxyphenyl)methyl]carbamoyl]phenoxy]acetate is COC(=O)COc1ccccc1C(=O)N(CC(N)=O)Cc1cccc(OC)c1.
What is the InChIKey of methyl 2-[2-[(2-amino-2-oxoethyl)-[(3-methoxyphenyl)methyl]carbamoyl]phenoxy]acetate?
The InChIKey is NBDCDQBKDNYYLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O6/c1-26-15-7-5-6-14(10-15)11-22(12-18(21)23)20(25)16-8-3-4-9-17(16)28-13-19(24)27-2/h3-10H,11-13H2,1-2H3,(H2,21,23).
What are the key properties of methyl 2-[2-[(2-amino-2-oxoethyl)-[(3-methoxyphenyl)methyl]carbamoyl]phenoxy]acetate?
methyl 2-[2-[(2-amino-2-oxoethyl)-[(3-methoxyphenyl)methyl]carbamoyl]phenoxy]acetate has a molecular weight of 386.40 g/mol, XLogP of 1.37, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[(2-amino-2-oxoethyl)-[(3-methoxyphenyl)methyl]carbamoyl]phenoxy]acetate is sourced from PubChem (CID 144888078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).