methyl 2-[3-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethylcarbamoyl]phenoxy]acetate

C22H27NO7 — CID 55881567

IUPACmethyl 2-[3-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethylcarbamoyl]phenoxy]acetate
SMILESCOCCOc1ccc(C(C)NC(=O)c2cccc(OCC(=O)OC)c2)cc1OC
InChIInChI=1S/C22H27NO7/c1-15(16-8-9-19(20(13-16)27-3)29-11-10-26-2)23-22(25)17-6-5-7-18(12-17)30-14-21(24)28-4/h5-9,12-13,15H,10-11,14H2,1-4H3,(H,23,25)
InChIKeyOVQUAXACPAFHOA-UHFFFAOYSA-N
MW417.46 g/mol
LogP2.76
Rot. Bonds11

About methyl 2-[3-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethylcarbamoyl]phenoxy]acetate

methyl 2-[3-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethylcarbamoyl]phenoxy]acetate (PubChem CID 55881567) has the molecular formula C22H27NO7 and a molecular weight of 417.46 g/mol. Its IUPAC name is methyl 2-[3-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethylcarbamoyl]phenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[3-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethylcarbamoyl]phenoxy]acetate
PubChem CID55881567
Molecular FormulaC22H27NO7
Molecular Weight417.46 g/mol
Exact Mass417.18
IUPAC Namemethyl 2-[3-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethylcarbamoyl]phenoxy]acetate
SMILESCOCCOc1ccc(C(C)NC(=O)c2cccc(OCC(=O)OC)c2)cc1OC
InChIInChI=1S/C22H27NO7/c1-15(16-8-9-19(20(13-16)27-3)29-11-10-26-2)23-22(25)17-6-5-7-18(12-17)30-14-21(24)28-4/h5-9,12-13,15H,10-11,14H2,1-4H3,(H,23,25)
InChIKeyOVQUAXACPAFHOA-UHFFFAOYSA-N
XLogP2.76
TPSA92.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.46
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]-3,5-dimethylbenzamide
CID 55748439
2,6-difluoro-N-[(1S)-1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]benzamide
CID 51954351
ethyl 2-[4-[1-[(3-fluorobenzoyl)amino]ethyl]-2-methoxyphenoxy]acetate
CID 42959966
3,4-dimethoxy-N-[1-(3-methoxy-4-pentoxyphenyl)ethyl]benzamide
CID 55747285
(2S,3S)-2-[[3-(2-methoxy-2-oxoethoxy)benzoyl]amino]-3-methylpentanoic acid
CID 119194080
N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]-2-phenylbenzamide
CID 55748194
3-amino-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]butanamide
CID 119722964
N-[1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]ethyl]-2-(3-methylphenoxy)acetamide
CID 71885691
N-[1-(3-methoxy-4-propoxyphenyl)ethyl]-2-(3-methylphenoxy)acetamide
CID 55747934
3-amino-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]benzamide;hydrochloride
CID 119732117
3-(2-phenoxyethoxy)-N-(1-phenylethyl)benzamide
CID 4954951
2-(4-chloro-3-methylphenoxy)-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]acetamide
CID 55748250

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethylcarbamoyl]phenoxy]acetate?
The IUPAC name of methyl 2-[3-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethylcarbamoyl]phenoxy]acetate (CID 55881567) is methyl 2-[3-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethylcarbamoyl]phenoxy]acetate.
What is the SMILES notation for methyl 2-[3-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethylcarbamoyl]phenoxy]acetate?
The canonical SMILES for methyl 2-[3-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethylcarbamoyl]phenoxy]acetate is COCCOc1ccc(C(C)NC(=O)c2cccc(OCC(=O)OC)c2)cc1OC.
What is the InChIKey of methyl 2-[3-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethylcarbamoyl]phenoxy]acetate?
The InChIKey is OVQUAXACPAFHOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO7/c1-15(16-8-9-19(20(13-16)27-3)29-11-10-26-2)23-22(25)17-6-5-7-18(12-17)30-14-21(24)28-4/h5-9,12-13,15H,10-11,14H2,1-4H3,(H,23,25).
What are the key properties of methyl 2-[3-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethylcarbamoyl]phenoxy]acetate?
methyl 2-[3-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethylcarbamoyl]phenoxy]acetate has a molecular weight of 417.46 g/mol, XLogP of 2.76, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethylcarbamoyl]phenoxy]acetate is sourced from PubChem (CID 55881567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).