2-(4-chlorophenoxy)ethyl 2-[(3,4-dimethoxybenzoyl)amino]acetate

C19H20ClNO6 — CID 3524412

IUPAC2-(4-chlorophenoxy)ethyl 2-[(3,4-dimethoxybenzoyl)amino]acetate
SMILESCOc1ccc(C(=O)NCC(=O)OCCOc2ccc(Cl)cc2)cc1OC
InChIInChI=1S/C19H20ClNO6/c1-24-16-8-3-13(11-17(16)25-2)19(23)21-12-18(22)27-10-9-26-15-6-4-14(20)5-7-15/h3-8,11H,9-10,12H2,1-2H3,(H,21,23)
InChIKeyFNFHHGYONFWLED-UHFFFAOYSA-N
MW393.82 g/mol
LogP2.71
Rot. Bonds9

About 2-(4-chlorophenoxy)ethyl 2-[(3,4-dimethoxybenzoyl)amino]acetate

2-(4-chlorophenoxy)ethyl 2-[(3,4-dimethoxybenzoyl)amino]acetate (PubChem CID 3524412) has the molecular formula C19H20ClNO6 and a molecular weight of 393.82 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)ethyl 2-[(3,4-dimethoxybenzoyl)amino]acetate.

Molecular Properties

Compound Name2-(4-chlorophenoxy)ethyl 2-[(3,4-dimethoxybenzoyl)amino]acetate
PubChem CID3524412
Molecular FormulaC19H20ClNO6
Molecular Weight393.82 g/mol
Exact Mass393.10
IUPAC Name2-(4-chlorophenoxy)ethyl 2-[(3,4-dimethoxybenzoyl)amino]acetate
SMILESCOc1ccc(C(=O)NCC(=O)OCCOc2ccc(Cl)cc2)cc1OC
InChIInChI=1S/C19H20ClNO6/c1-24-16-8-3-13(11-17(16)25-2)19(23)21-12-18(22)27-10-9-26-15-6-4-14(20)5-7-15/h3-8,11H,9-10,12H2,1-2H3,(H,21,23)
InChIKeyFNFHHGYONFWLED-UHFFFAOYSA-N
XLogP2.71
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.82
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(4-chlorophenoxy)ethyl 2-[(4-ethoxybenzoyl)amino]acetate
CID 7884594
propyl 2-[(3,4-dimethoxybenzoyl)amino]acetate
CID 46526157
2-(4-chlorophenoxy)ethyl 2-(naphthalene-2-carbonylamino)acetate
CID 7881097
N-[2-[3-(4-chlorophenoxy)propyl-methylamino]-2-oxoethyl]-3,4-dimethoxybenzamide
CID 55948688
3-[2-(4-chlorophenoxy)ethoxy]-4-methoxybenzoic acid
CID 20988525
2-(4-methylphenoxy)ethyl 2-[(3,4-dichlorobenzoyl)amino]acetate
CID 7880664
(2,6-dichlorophenyl)methyl 2-[(3,4-dimethoxybenzoyl)amino]acetate
CID 8933305
N-[2-(4-chlorophenoxy)ethyl]-3-(difluoromethoxy)-4-methoxybenzamide
CID 46489928
(4-chlorophenyl)methyl 2-[[4-(difluoromethoxy)-3-methoxybenzoyl]amino]acetate
CID 7580674
2-(4-ethoxyphenoxy)ethyl 2-[(3,4-dimethylbenzoyl)amino]acetate
CID 7885053
2-(4-fluorophenoxy)ethyl 2-[(4-methoxybenzoyl)amino]acetate
CID 8787743
ethyl 2-[(3-ethoxy-4-methoxybenzoyl)amino]acetate
CID 47257630

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)ethyl 2-[(3,4-dimethoxybenzoyl)amino]acetate?
The IUPAC name of 2-(4-chlorophenoxy)ethyl 2-[(3,4-dimethoxybenzoyl)amino]acetate (CID 3524412) is 2-(4-chlorophenoxy)ethyl 2-[(3,4-dimethoxybenzoyl)amino]acetate.
What is the SMILES notation for 2-(4-chlorophenoxy)ethyl 2-[(3,4-dimethoxybenzoyl)amino]acetate?
The canonical SMILES for 2-(4-chlorophenoxy)ethyl 2-[(3,4-dimethoxybenzoyl)amino]acetate is COc1ccc(C(=O)NCC(=O)OCCOc2ccc(Cl)cc2)cc1OC.
What is the InChIKey of 2-(4-chlorophenoxy)ethyl 2-[(3,4-dimethoxybenzoyl)amino]acetate?
The InChIKey is FNFHHGYONFWLED-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO6/c1-24-16-8-3-13(11-17(16)25-2)19(23)21-12-18(22)27-10-9-26-15-6-4-14(20)5-7-15/h3-8,11H,9-10,12H2,1-2H3,(H,21,23).
What are the key properties of 2-(4-chlorophenoxy)ethyl 2-[(3,4-dimethoxybenzoyl)amino]acetate?
2-(4-chlorophenoxy)ethyl 2-[(3,4-dimethoxybenzoyl)amino]acetate has a molecular weight of 393.82 g/mol, XLogP of 2.71, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)ethyl 2-[(3,4-dimethoxybenzoyl)amino]acetate is sourced from PubChem (CID 3524412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).