2-(2-chlorophenoxy)-N-[2-(4-methoxyphenoxy)ethyl]propanamide

C18H20ClNO4 — CID 52988547

IUPAC2-(2-chlorophenoxy)-N-[2-(4-methoxyphenoxy)ethyl]propanamide
SMILESCOc1ccc(OCCNC(=O)C(C)Oc2ccccc2Cl)cc1
InChIInChI=1S/C18H20ClNO4/c1-13(24-17-6-4-3-5-16(17)19)18(21)20-11-12-23-15-9-7-14(22-2)8-10-15/h3-10,13H,11-12H2,1-2H3,(H,20,21)
InChIKeyPGGDIHAYDPBDGP-UHFFFAOYSA-N
MW349.81 g/mol
LogP3.31
Rot. Bonds8

About 2-(2-chlorophenoxy)-N-[2-(4-methoxyphenoxy)ethyl]propanamide

2-(2-chlorophenoxy)-N-[2-(4-methoxyphenoxy)ethyl]propanamide (PubChem CID 52988547) has the molecular formula C18H20ClNO4 and a molecular weight of 349.81 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-N-[2-(4-methoxyphenoxy)ethyl]propanamide.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-N-[2-(4-methoxyphenoxy)ethyl]propanamide
PubChem CID52988547
Molecular FormulaC18H20ClNO4
Molecular Weight349.81 g/mol
Exact Mass349.11
IUPAC Name2-(2-chlorophenoxy)-N-[2-(4-methoxyphenoxy)ethyl]propanamide
SMILESCOc1ccc(OCCNC(=O)C(C)Oc2ccccc2Cl)cc1
InChIInChI=1S/C18H20ClNO4/c1-13(24-17-6-4-3-5-16(17)19)18(21)20-11-12-23-15-9-7-14(22-2)8-10-15/h3-10,13H,11-12H2,1-2H3,(H,20,21)
InChIKeyPGGDIHAYDPBDGP-UHFFFAOYSA-N
XLogP3.31
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.81
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2,3-dichlorophenoxy)-N-(2-phenoxyethyl)propanamide
CID 55686865
2-(2-chlorophenoxy)-N-(2-naphthalen-1-yloxyethyl)propanamide
CID 133220502
(2S)-2-(2-chlorophenoxy)-N-(3-methoxypropyl)propanamide
CID 42561381
N-[2-(2-chlorophenoxy)ethyl]-2-(4-fluorophenoxy)propanamide
CID 133164174
(2S)-2-(4-chlorophenoxy)-N-[2-(2-methoxyphenoxy)ethyl]propanamide
CID 92540063
2-(4-tert-butylphenoxy)-N-[2-(2-chlorophenoxy)ethyl]propanamide
CID 133164114
methyl 3-[2-(2-chlorophenoxy)propanoylamino]propanoate
CID 60739964
N-[2-(3,4-dimethylphenoxy)ethyl]-2-(2-methoxyphenoxy)propanamide
CID 133211011
(2R)-2-(2-chlorophenoxy)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]propanamide
CID 92674399
2-(2-methylphenoxy)-N-[2-(4-methylphenoxy)ethyl]propanamide
CID 43915467
2-chloro-N-[(2S)-1-[2-(4-methoxyphenoxy)ethylamino]-1-oxopropan-2-yl]benzamide
CID 8935295
2-(2-chlorophenoxy)-N-[3-(methylamino)propyl]propanamide;hydrochloride
CID 119431400

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)-N-[2-(4-methoxyphenoxy)ethyl]propanamide?
The IUPAC name of 2-(2-chlorophenoxy)-N-[2-(4-methoxyphenoxy)ethyl]propanamide (CID 52988547) is 2-(2-chlorophenoxy)-N-[2-(4-methoxyphenoxy)ethyl]propanamide.
What is the SMILES notation for 2-(2-chlorophenoxy)-N-[2-(4-methoxyphenoxy)ethyl]propanamide?
The canonical SMILES for 2-(2-chlorophenoxy)-N-[2-(4-methoxyphenoxy)ethyl]propanamide is COc1ccc(OCCNC(=O)C(C)Oc2ccccc2Cl)cc1.
What is the InChIKey of 2-(2-chlorophenoxy)-N-[2-(4-methoxyphenoxy)ethyl]propanamide?
The InChIKey is PGGDIHAYDPBDGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO4/c1-13(24-17-6-4-3-5-16(17)19)18(21)20-11-12-23-15-9-7-14(22-2)8-10-15/h3-10,13H,11-12H2,1-2H3,(H,20,21).
What are the key properties of 2-(2-chlorophenoxy)-N-[2-(4-methoxyphenoxy)ethyl]propanamide?
2-(2-chlorophenoxy)-N-[2-(4-methoxyphenoxy)ethyl]propanamide has a molecular weight of 349.81 g/mol, XLogP of 3.31, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)-N-[2-(4-methoxyphenoxy)ethyl]propanamide is sourced from PubChem (CID 52988547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).