2-(4-chloro-2-methylphenoxy)-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]propanamide

C20H23ClN2O4 — CID 46436874

IUPAC2-(4-chloro-2-methylphenoxy)-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]propanamide
SMILESCCNC(=O)COc1cccc(NC(=O)C(C)Oc2ccc(Cl)cc2C)c1
InChIInChI=1S/C20H23ClN2O4/c1-4-22-19(24)12-26-17-7-5-6-16(11-17)23-20(25)14(3)27-18-9-8-15(21)10-13(18)2/h5-11,14H,4,12H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyOXYYVFOBHWIYFV-UHFFFAOYSA-N
MW390.87 g/mol
LogP3.57
Rot. Bonds8

About 2-(4-chloro-2-methylphenoxy)-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]propanamide

2-(4-chloro-2-methylphenoxy)-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]propanamide (PubChem CID 46436874) has the molecular formula C20H23ClN2O4 and a molecular weight of 390.87 g/mol. Its IUPAC name is 2-(4-chloro-2-methylphenoxy)-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]propanamide.

Molecular Properties

Compound Name2-(4-chloro-2-methylphenoxy)-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]propanamide
PubChem CID46436874
Molecular FormulaC20H23ClN2O4
Molecular Weight390.87 g/mol
Exact Mass390.13
IUPAC Name2-(4-chloro-2-methylphenoxy)-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]propanamide
SMILESCCNC(=O)COc1cccc(NC(=O)C(C)Oc2ccc(Cl)cc2C)c1
InChIInChI=1S/C20H23ClN2O4/c1-4-22-19(24)12-26-17-7-5-6-16(11-17)23-20(25)14(3)27-18-9-8-15(21)10-13(18)2/h5-11,14H,4,12H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyOXYYVFOBHWIYFV-UHFFFAOYSA-N
XLogP3.57
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.87
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(4-chloro-2-methylphenoxy)-N-(3-chlorophenyl)propanamide
CID 874173
(2R)-2-(4-chloro-2-methylphenoxy)-N-phenylpropanamide
CID 723976
5-chloro-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-methoxybenzamide
CID 39045106
(2R)-N-(3-bromophenyl)-2-(4-chloro-2-methylphenoxy)propanamide
CID 1009322
N-(3-aminophenyl)-2-(4-chloro-2-methylphenoxy)propanamide
CID 43079181
ethyl 3-[2-(4-chloro-2-methylphenoxy)propanoylamino]benzoate
CID 2788090
2-(2-bromo-4-chlorophenoxy)-N-(3-butoxyphenyl)propanamide
CID 17095115
2-(4-chloro-2-methylphenoxy)-N-(4-phenoxyphenyl)propanamide
CID 3624899
ethyl 2-[3-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]phenoxy]acetate
CID 39269639
2-(4-chloro-2-methylphenoxy)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 3277013
N-[3-[[[2-(4-chloro-2-methylphenoxy)acetyl]amino]methyl]phenyl]-2-methylpropanamide
CID 33014645
N-[3-(2-amino-2-oxoethoxy)phenyl]-2-(2,3-dichlorophenoxy)propanamide
CID 43078117

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]propanamide?
The IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]propanamide (CID 46436874) is 2-(4-chloro-2-methylphenoxy)-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]propanamide.
What is the SMILES notation for 2-(4-chloro-2-methylphenoxy)-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]propanamide?
The canonical SMILES for 2-(4-chloro-2-methylphenoxy)-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]propanamide is CCNC(=O)COc1cccc(NC(=O)C(C)Oc2ccc(Cl)cc2C)c1.
What is the InChIKey of 2-(4-chloro-2-methylphenoxy)-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]propanamide?
The InChIKey is OXYYVFOBHWIYFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O4/c1-4-22-19(24)12-26-17-7-5-6-16(11-17)23-20(25)14(3)27-18-9-8-15(21)10-13(18)2/h5-11,14H,4,12H2,1-3H3,(H,22,24)(H,23,25).
What are the key properties of 2-(4-chloro-2-methylphenoxy)-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]propanamide?
2-(4-chloro-2-methylphenoxy)-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]propanamide has a molecular weight of 390.87 g/mol, XLogP of 3.57, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methylphenoxy)-N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]propanamide is sourced from PubChem (CID 46436874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).