(2S)-2-(4-chloro-3-methylphenoxy)-N-(3,4-dimethoxyphenyl)propanamide

C18H20ClNO4 — CID 26802583

IUPAC(2S)-2-(4-chloro-3-methylphenoxy)-N-(3,4-dimethoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)[C@H](C)Oc2ccc(Cl)c(C)c2)cc1OC
InChIInChI=1S/C18H20ClNO4/c1-11-9-14(6-7-15(11)19)24-12(2)18(21)20-13-5-8-16(22-3)17(10-13)23-4/h5-10,12H,1-4H3,(H,20,21)/t12-/m0/s1
InChIKeyIJIUJFIHDYHCJI-LBPRGKRZSA-N
MW349.81 g/mol
LogP4.07
Rot. Bonds6

About (2S)-2-(4-chloro-3-methylphenoxy)-N-(3,4-dimethoxyphenyl)propanamide

(2S)-2-(4-chloro-3-methylphenoxy)-N-(3,4-dimethoxyphenyl)propanamide (PubChem CID 26802583) has the molecular formula C18H20ClNO4 and a molecular weight of 349.81 g/mol. Its IUPAC name is (2S)-2-(4-chloro-3-methylphenoxy)-N-(3,4-dimethoxyphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(4-chloro-3-methylphenoxy)-N-(3,4-dimethoxyphenyl)propanamide
PubChem CID26802583
Molecular FormulaC18H20ClNO4
Molecular Weight349.81 g/mol
Exact Mass349.11
IUPAC Name(2S)-2-(4-chloro-3-methylphenoxy)-N-(3,4-dimethoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)[C@H](C)Oc2ccc(Cl)c(C)c2)cc1OC
InChIInChI=1S/C18H20ClNO4/c1-11-9-14(6-7-15(11)19)24-12(2)18(21)20-13-5-8-16(22-3)17(10-13)23-4/h5-10,12H,1-4H3,(H,20,21)/t12-/m0/s1
InChIKeyIJIUJFIHDYHCJI-LBPRGKRZSA-N
XLogP4.07
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.81
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-2-(3,4-dimethylphenoxy)propanamide
CID 53266530
(2S)-N-(3-chloro-4-methoxyphenyl)-2-(3,4-dimethylphenoxy)propanamide
CID 40745330
(2R)-2-(4-chlorophenoxy)-N-(3,4-dimethoxyphenyl)propanamide
CID 2088418
2-(4-chloro-3-methylphenoxy)-N-(3,4-dichlorophenyl)propanamide
CID 53265973
(2R)-2-(4-chloro-3-methylphenoxy)-N-(2,5-dimethoxyphenyl)propanamide
CID 890913
N-(3,4-dimethoxyphenyl)-2-(3,5-dimethylphenoxy)propanamide
CID 24511211
(2S)-N-(3,4-dichlorophenyl)-2-(3,4-dimethylphenoxy)propanamide
CID 95077681
(2R)-N-(5-chloro-2-methoxyphenyl)-2-(4-chloro-3-methylphenoxy)propanamide
CID 7794724
2-(4-chloro-3-methylphenoxy)-N-(4-iodophenyl)propanamide
CID 53265997
(2R)-N-(3-chloro-4-methoxyphenyl)-2-(4-methoxyphenoxy)propanamide
CID 925231
2-(4-chloro-3-methylphenoxy)-N-(2-methoxyphenyl)propanamide
CID 53265989
3-[2-(4-chloro-3-methylphenoxy)propanoylamino]benzamide
CID 53288806

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-chloro-3-methylphenoxy)-N-(3,4-dimethoxyphenyl)propanamide?
The IUPAC name of (2S)-2-(4-chloro-3-methylphenoxy)-N-(3,4-dimethoxyphenyl)propanamide (CID 26802583) is (2S)-2-(4-chloro-3-methylphenoxy)-N-(3,4-dimethoxyphenyl)propanamide.
What is the SMILES notation for (2S)-2-(4-chloro-3-methylphenoxy)-N-(3,4-dimethoxyphenyl)propanamide?
The canonical SMILES for (2S)-2-(4-chloro-3-methylphenoxy)-N-(3,4-dimethoxyphenyl)propanamide is COc1ccc(NC(=O)[C@H](C)Oc2ccc(Cl)c(C)c2)cc1OC.
What is the InChIKey of (2S)-2-(4-chloro-3-methylphenoxy)-N-(3,4-dimethoxyphenyl)propanamide?
The InChIKey is IJIUJFIHDYHCJI-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H20ClNO4/c1-11-9-14(6-7-15(11)19)24-12(2)18(21)20-13-5-8-16(22-3)17(10-13)23-4/h5-10,12H,1-4H3,(H,20,21)/t12-/m0/s1.
What are the key properties of (2S)-2-(4-chloro-3-methylphenoxy)-N-(3,4-dimethoxyphenyl)propanamide?
(2S)-2-(4-chloro-3-methylphenoxy)-N-(3,4-dimethoxyphenyl)propanamide has a molecular weight of 349.81 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-chloro-3-methylphenoxy)-N-(3,4-dimethoxyphenyl)propanamide is sourced from PubChem (CID 26802583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).