(2S)-2-(2-chlorophenoxy)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]butanamide

C20H24ClNO2 — CID 94020068

IUPAC(2S)-2-(2-chlorophenoxy)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]butanamide
SMILESCC[C@H](Oc1ccccc1Cl)C(=O)N[C@@H](C)c1ccc(C)cc1C
InChIInChI=1S/C20H24ClNO2/c1-5-18(24-19-9-7-6-8-17(19)21)20(23)22-15(4)16-11-10-13(2)12-14(16)3/h6-12,15,18H,5H2,1-4H3,(H,22,23)/t15-,18-/m0/s1
InChIKeyPPSBDZMMOCHWHV-YJBOKZPZSA-N
MW345.87 g/mol
LogP4.99
Rot. Bonds6

About (2S)-2-(2-chlorophenoxy)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]butanamide

(2S)-2-(2-chlorophenoxy)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]butanamide (PubChem CID 94020068) has the molecular formula C20H24ClNO2 and a molecular weight of 345.87 g/mol. Its IUPAC name is (2S)-2-(2-chlorophenoxy)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]butanamide.

Molecular Properties

Compound Name(2S)-2-(2-chlorophenoxy)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]butanamide
PubChem CID94020068
Molecular FormulaC20H24ClNO2
Molecular Weight345.87 g/mol
Exact Mass345.15
IUPAC Name(2S)-2-(2-chlorophenoxy)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]butanamide
SMILESCC[C@H](Oc1ccccc1Cl)C(=O)N[C@@H](C)c1ccc(C)cc1C
InChIInChI=1S/C20H24ClNO2/c1-5-18(24-19-9-7-6-8-17(19)21)20(23)22-15(4)16-11-10-13(2)12-14(16)3/h6-12,15,18H,5H2,1-4H3,(H,22,23)/t15-,18-/m0/s1
InChIKeyPPSBDZMMOCHWHV-YJBOKZPZSA-N
XLogP4.99
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.87
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2-(2-methylphenoxy)butanamide
CID 92682866
(2R)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2-phenoxybutanamide
CID 99132936
(2R)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2-naphthalen-2-yloxybutanamide
CID 38019155
(2R)-2-(2-chlorophenoxy)-N-(2,4-dimethylphenyl)butanamide
CID 30396975
N-[1-(2,5-dimethylphenyl)ethyl]-2-(2-methylphenoxy)butanamide
CID 17327347
(2R)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2-(4-fluorophenoxy)butanamide
CID 92671756
(2S)-2-(3,4-dimethylphenoxy)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]butanamide
CID 94011676
2-(2-chlorophenoxy)-N-[1-(2,4-dimethylphenyl)ethyl]acetamide
CID 17327655
(2S)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-2-naphthalen-1-yloxybutanamide
CID 28632313
(2R)-2-(2-chlorophenoxy)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]propanamide
CID 94843604
(2R)-N-[(2S)-butan-2-yl]-2-(2-chlorophenoxy)butanamide
CID 38013268
2-(2-chlorophenoxy)-N-[1-(4-methylphenyl)propyl]butanamide
CID 17328424

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-chlorophenoxy)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]butanamide?
The IUPAC name of (2S)-2-(2-chlorophenoxy)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]butanamide (CID 94020068) is (2S)-2-(2-chlorophenoxy)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]butanamide.
What is the SMILES notation for (2S)-2-(2-chlorophenoxy)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]butanamide?
The canonical SMILES for (2S)-2-(2-chlorophenoxy)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]butanamide is CC[C@H](Oc1ccccc1Cl)C(=O)N[C@@H](C)c1ccc(C)cc1C.
What is the InChIKey of (2S)-2-(2-chlorophenoxy)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]butanamide?
The InChIKey is PPSBDZMMOCHWHV-YJBOKZPZSA-N. The full InChI is InChI=1S/C20H24ClNO2/c1-5-18(24-19-9-7-6-8-17(19)21)20(23)22-15(4)16-11-10-13(2)12-14(16)3/h6-12,15,18H,5H2,1-4H3,(H,22,23)/t15-,18-/m0/s1.
What are the key properties of (2S)-2-(2-chlorophenoxy)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]butanamide?
(2S)-2-(2-chlorophenoxy)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]butanamide has a molecular weight of 345.87 g/mol, XLogP of 4.99, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-chlorophenoxy)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]butanamide is sourced from PubChem (CID 94020068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).