N-(2-chloro-4,6-dimethylphenyl)-2-(4-methoxyphenoxy)propanamide

C18H20ClNO3 — CID 53265828

IUPACN-(2-chloro-4,6-dimethylphenyl)-2-(4-methoxyphenoxy)propanamide
SMILESCOc1ccc(OC(C)C(=O)Nc2c(C)cc(C)cc2Cl)cc1
InChIInChI=1S/C18H20ClNO3/c1-11-9-12(2)17(16(19)10-11)20-18(21)13(3)23-15-7-5-14(22-4)6-8-15/h5-10,13H,1-4H3,(H,20,21)
InChIKeySVQHERSGGLVVOQ-UHFFFAOYSA-N
MW333.82 g/mol
LogP4.37
Rot. Bonds5

About N-(2-chloro-4,6-dimethylphenyl)-2-(4-methoxyphenoxy)propanamide

N-(2-chloro-4,6-dimethylphenyl)-2-(4-methoxyphenoxy)propanamide (PubChem CID 53265828) has the molecular formula C18H20ClNO3 and a molecular weight of 333.82 g/mol. Its IUPAC name is N-(2-chloro-4,6-dimethylphenyl)-2-(4-methoxyphenoxy)propanamide.

Molecular Properties

Compound NameN-(2-chloro-4,6-dimethylphenyl)-2-(4-methoxyphenoxy)propanamide
PubChem CID53265828
Molecular FormulaC18H20ClNO3
Molecular Weight333.82 g/mol
Exact Mass333.11
IUPAC NameN-(2-chloro-4,6-dimethylphenyl)-2-(4-methoxyphenoxy)propanamide
SMILESCOc1ccc(OC(C)C(=O)Nc2c(C)cc(C)cc2Cl)cc1
InChIInChI=1S/C18H20ClNO3/c1-11-9-12(2)17(16(19)10-11)20-18(21)13(3)23-15-7-5-14(22-4)6-8-15/h5-10,13H,1-4H3,(H,20,21)
InChIKeySVQHERSGGLVVOQ-UHFFFAOYSA-N
XLogP4.37
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(4-chlorophenoxy)-N-(2,4,6-trimethylphenyl)propanamide
CID 8760048
(2R)-2-(4-chloro-3-methylphenoxy)-N-(2,4,6-trimethylphenyl)propanamide
CID 7794811
(2S)-2-(4-fluorophenoxy)-N-(2,4,6-trimethylphenyl)propanamide
CID 26074940
2-(3,5-dimethylphenoxy)-N-(2,4,6-trimethylphenyl)propanamide
CID 53266252
[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl] (2R)-2-(4-chlorophenoxy)propanoate
CID 8865308
(2R)-N-(2,5-dimethylphenyl)-2-(4-methoxyphenoxy)propanamide
CID 719385
(2S)-2-[4-(4-fluorobenzoyl)phenoxy]-N-(2,4,6-trimethylphenyl)propanamide
CID 7795231
(2S)-N-(2,6-dichlorophenyl)-2-(3,5-dimethylphenoxy)propanamide
CID 9180357
(2R)-N-(3-chloro-4-methoxyphenyl)-2-(4-methoxyphenoxy)propanamide
CID 925231
N-(4-chlorophenyl)-2-(4-methoxyphenoxy)propanamide
CID 2789590
N'-(2-chloro-4,6-dimethylphenyl)-N-(4-propan-2-yloxyphenyl)propanediamide
CID 108955345
(2R)-2-(4-chloro-3-methylphenoxy)-N-(2,6-dimethylphenyl)propanamide
CID 26542487

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-2-(4-methoxyphenoxy)propanamide?
The IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-2-(4-methoxyphenoxy)propanamide (CID 53265828) is N-(2-chloro-4,6-dimethylphenyl)-2-(4-methoxyphenoxy)propanamide.
What is the SMILES notation for N-(2-chloro-4,6-dimethylphenyl)-2-(4-methoxyphenoxy)propanamide?
The canonical SMILES for N-(2-chloro-4,6-dimethylphenyl)-2-(4-methoxyphenoxy)propanamide is COc1ccc(OC(C)C(=O)Nc2c(C)cc(C)cc2Cl)cc1.
What is the InChIKey of N-(2-chloro-4,6-dimethylphenyl)-2-(4-methoxyphenoxy)propanamide?
The InChIKey is SVQHERSGGLVVOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO3/c1-11-9-12(2)17(16(19)10-11)20-18(21)13(3)23-15-7-5-14(22-4)6-8-15/h5-10,13H,1-4H3,(H,20,21).
What are the key properties of N-(2-chloro-4,6-dimethylphenyl)-2-(4-methoxyphenoxy)propanamide?
N-(2-chloro-4,6-dimethylphenyl)-2-(4-methoxyphenoxy)propanamide has a molecular weight of 333.82 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4,6-dimethylphenyl)-2-(4-methoxyphenoxy)propanamide is sourced from PubChem (CID 53265828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).