(2S)-N-(3-chloro-2-methylphenyl)-2-(3,4-dimethylphenoxy)butanamide

C19H22ClNO2 — CID 92676372

IUPAC(2S)-N-(3-chloro-2-methylphenyl)-2-(3,4-dimethylphenoxy)butanamide
SMILESCC[C@H](Oc1ccc(C)c(C)c1)C(=O)Nc1cccc(Cl)c1C
InChIInChI=1S/C19H22ClNO2/c1-5-18(23-15-10-9-12(2)13(3)11-15)19(22)21-17-8-6-7-16(20)14(17)4/h6-11,18H,5H2,1-4H3,(H,21,22)/t18-/m0/s1
InChIKeyMIDXYVDFOYVWQE-SFHVURJKSA-N
MW331.84 g/mol
LogP5.06
Rot. Bonds5

About (2S)-N-(3-chloro-2-methylphenyl)-2-(3,4-dimethylphenoxy)butanamide

(2S)-N-(3-chloro-2-methylphenyl)-2-(3,4-dimethylphenoxy)butanamide (PubChem CID 92676372) has the molecular formula C19H22ClNO2 and a molecular weight of 331.84 g/mol. Its IUPAC name is (2S)-N-(3-chloro-2-methylphenyl)-2-(3,4-dimethylphenoxy)butanamide.

Molecular Properties

Compound Name(2S)-N-(3-chloro-2-methylphenyl)-2-(3,4-dimethylphenoxy)butanamide
PubChem CID92676372
Molecular FormulaC19H22ClNO2
Molecular Weight331.84 g/mol
Exact Mass331.13
IUPAC Name(2S)-N-(3-chloro-2-methylphenyl)-2-(3,4-dimethylphenoxy)butanamide
SMILESCC[C@H](Oc1ccc(C)c(C)c1)C(=O)Nc1cccc(Cl)c1C
InChIInChI=1S/C19H22ClNO2/c1-5-18(23-15-10-9-12(2)13(3)11-15)19(22)21-17-8-6-7-16(20)14(17)4/h6-11,18H,5H2,1-4H3,(H,21,22)/t18-/m0/s1
InChIKeyMIDXYVDFOYVWQE-SFHVURJKSA-N
XLogP5.06
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.84
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-(2-chlorophenyl)-2-(3,4-dimethylphenoxy)butanamide
CID 28633690
2-(3,4-dimethylphenoxy)-N-(2,3-dimethylphenyl)butanamide
CID 43916757
N-(3-chloro-2-methylphenyl)-2-(3-chlorophenoxy)butanamide
CID 43916773
methyl 3-[[(2R)-2-(3,4-dimethylphenoxy)butanoyl]amino]-2-methylbenzoate
CID 94013322
2-(4-chloro-3-methylphenoxy)-N-(2-chlorophenyl)butanamide
CID 132651835
(2R)-2-(3,4-dimethylphenoxy)-N-naphthalen-1-ylbutanamide
CID 30379357
N-(3-chloro-2-methylphenyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]butanamide
CID 133184207
(2R)-N-(3-chloro-4-methylphenyl)-2-(3,4-dimethylphenoxy)butanamide
CID 94015863
(2R)-2-(4-chloro-3-methylphenoxy)-N-(3,4-dimethylphenyl)butanamide
CID 99133224
(2S)-N-(3,4-dichlorophenyl)-2-(3,4-dimethylphenoxy)butanamide
CID 92678020
2-(3,4-dimethylphenoxy)-N-(2-phenoxyphenyl)butanamide
CID 43876954
N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-2-(3,4-dimethylphenoxy)butanamide
CID 43907240

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-chloro-2-methylphenyl)-2-(3,4-dimethylphenoxy)butanamide?
The IUPAC name of (2S)-N-(3-chloro-2-methylphenyl)-2-(3,4-dimethylphenoxy)butanamide (CID 92676372) is (2S)-N-(3-chloro-2-methylphenyl)-2-(3,4-dimethylphenoxy)butanamide.
What is the SMILES notation for (2S)-N-(3-chloro-2-methylphenyl)-2-(3,4-dimethylphenoxy)butanamide?
The canonical SMILES for (2S)-N-(3-chloro-2-methylphenyl)-2-(3,4-dimethylphenoxy)butanamide is CC[C@H](Oc1ccc(C)c(C)c1)C(=O)Nc1cccc(Cl)c1C.
What is the InChIKey of (2S)-N-(3-chloro-2-methylphenyl)-2-(3,4-dimethylphenoxy)butanamide?
The InChIKey is MIDXYVDFOYVWQE-SFHVURJKSA-N. The full InChI is InChI=1S/C19H22ClNO2/c1-5-18(23-15-10-9-12(2)13(3)11-15)19(22)21-17-8-6-7-16(20)14(17)4/h6-11,18H,5H2,1-4H3,(H,21,22)/t18-/m0/s1.
What are the key properties of (2S)-N-(3-chloro-2-methylphenyl)-2-(3,4-dimethylphenoxy)butanamide?
(2S)-N-(3-chloro-2-methylphenyl)-2-(3,4-dimethylphenoxy)butanamide has a molecular weight of 331.84 g/mol, XLogP of 5.06, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-chloro-2-methylphenyl)-2-(3,4-dimethylphenoxy)butanamide is sourced from PubChem (CID 92676372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).