(2S)-N-(5-chloro-2-methylphenyl)-2-(3,5-dimethoxyphenoxy)propanamide

C18H20ClNO4 — CID 26564189

IUPAC(2S)-N-(5-chloro-2-methylphenyl)-2-(3,5-dimethoxyphenoxy)propanamide
SMILESCOc1cc(OC)cc(O[C@@H](C)C(=O)Nc2cc(Cl)ccc2C)c1
InChIInChI=1S/C18H20ClNO4/c1-11-5-6-13(19)7-17(11)20-18(21)12(2)24-16-9-14(22-3)8-15(10-16)23-4/h5-10,12H,1-4H3,(H,20,21)/t12-/m0/s1
InChIKeyCABLVDSTQXFRKC-LBPRGKRZSA-N
MW349.81 g/mol
LogP4.07
Rot. Bonds6

About (2S)-N-(5-chloro-2-methylphenyl)-2-(3,5-dimethoxyphenoxy)propanamide

(2S)-N-(5-chloro-2-methylphenyl)-2-(3,5-dimethoxyphenoxy)propanamide (PubChem CID 26564189) has the molecular formula C18H20ClNO4 and a molecular weight of 349.81 g/mol. Its IUPAC name is (2S)-N-(5-chloro-2-methylphenyl)-2-(3,5-dimethoxyphenoxy)propanamide.

Molecular Properties

Compound Name(2S)-N-(5-chloro-2-methylphenyl)-2-(3,5-dimethoxyphenoxy)propanamide
PubChem CID26564189
Molecular FormulaC18H20ClNO4
Molecular Weight349.81 g/mol
Exact Mass349.11
IUPAC Name(2S)-N-(5-chloro-2-methylphenyl)-2-(3,5-dimethoxyphenoxy)propanamide
SMILESCOc1cc(OC)cc(O[C@@H](C)C(=O)Nc2cc(Cl)ccc2C)c1
InChIInChI=1S/C18H20ClNO4/c1-11-5-6-13(19)7-17(11)20-18(21)12(2)24-16-9-14(22-3)8-15(10-16)23-4/h5-10,12H,1-4H3,(H,20,21)/t12-/m0/s1
InChIKeyCABLVDSTQXFRKC-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

(2R)-N-(5-chloro-2-methylphenyl)-2-(3,5-dimethylphenoxy)propanamide
CID 40742791
(2R)-N-(5-chloro-2-methylphenyl)-2-(4-methylphenoxy)propanamide
CID 837813
(2S)-2-(4-chloro-3-methylphenoxy)-N-(5-chloro-2-methylphenyl)propanamide
CID 95077371
N-(5-chloro-2-methoxyphenyl)-2-(3,5-dimethylphenoxy)propanamide
CID 17341494
(2R)-N-(2,5-dimethylphenyl)-2-(4-methoxyphenoxy)propanamide
CID 719385
N-(2,4-dichlorophenyl)-2-(3-methoxyphenoxy)propanamide
CID 19203915
(2R)-N-(5-chloro-2-methoxyphenyl)-2-(4-chloro-3-methylphenoxy)propanamide
CID 7794724
N-(4-chloro-2-methylphenyl)-2-(3,5-dimethylphenoxy)propanamide
CID 53266190
methyl 3-[[(2R)-2-(3-chlorophenoxy)propanoyl]amino]-4-methylbenzoate
CID 25496543
ethyl 3-[(2S)-1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl]oxybenzoate
CID 8890418
N-(5-chloro-2-methylphenyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
CID 133162812
(2R)-N-(5-chloro-2-methoxyphenyl)-2-(4-chloro-2-methylphenoxy)propanamide
CID 1222422

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(5-chloro-2-methylphenyl)-2-(3,5-dimethoxyphenoxy)propanamide?
The IUPAC name of (2S)-N-(5-chloro-2-methylphenyl)-2-(3,5-dimethoxyphenoxy)propanamide (CID 26564189) is (2S)-N-(5-chloro-2-methylphenyl)-2-(3,5-dimethoxyphenoxy)propanamide.
What is the SMILES notation for (2S)-N-(5-chloro-2-methylphenyl)-2-(3,5-dimethoxyphenoxy)propanamide?
The canonical SMILES for (2S)-N-(5-chloro-2-methylphenyl)-2-(3,5-dimethoxyphenoxy)propanamide is COc1cc(OC)cc(O[C@@H](C)C(=O)Nc2cc(Cl)ccc2C)c1.
What is the InChIKey of (2S)-N-(5-chloro-2-methylphenyl)-2-(3,5-dimethoxyphenoxy)propanamide?
The InChIKey is CABLVDSTQXFRKC-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H20ClNO4/c1-11-5-6-13(19)7-17(11)20-18(21)12(2)24-16-9-14(22-3)8-15(10-16)23-4/h5-10,12H,1-4H3,(H,20,21)/t12-/m0/s1.
What are the key properties of (2S)-N-(5-chloro-2-methylphenyl)-2-(3,5-dimethoxyphenoxy)propanamide?
(2S)-N-(5-chloro-2-methylphenyl)-2-(3,5-dimethoxyphenoxy)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)-N-(5-chloro-2-methylphenyl)-2-(3,5-dimethoxyphenoxy)propanamide is sourced from PubChem (CID 26564189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).