(2S)-2-(4-chlorophenoxy)-N-(2-methoxy-5-methylphenyl)butanamide

C18H20ClNO3 — CID 9172738

IUPAC(2S)-2-(4-chlorophenoxy)-N-(2-methoxy-5-methylphenyl)butanamide
SMILESCC[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1cc(C)ccc1OC
InChIInChI=1S/C18H20ClNO3/c1-4-16(23-14-8-6-13(19)7-9-14)18(21)20-15-11-12(2)5-10-17(15)22-3/h5-11,16H,4H2,1-3H3,(H,20,21)/t16-/m0/s1
InChIKeyXJUISJHLOFITCX-INIZCTEOSA-N
MW333.82 g/mol
LogP4.45
Rot. Bonds6

About (2S)-2-(4-chlorophenoxy)-N-(2-methoxy-5-methylphenyl)butanamide

(2S)-2-(4-chlorophenoxy)-N-(2-methoxy-5-methylphenyl)butanamide (PubChem CID 9172738) has the molecular formula C18H20ClNO3 and a molecular weight of 333.82 g/mol. Its IUPAC name is (2S)-2-(4-chlorophenoxy)-N-(2-methoxy-5-methylphenyl)butanamide.

Molecular Properties

Compound Name(2S)-2-(4-chlorophenoxy)-N-(2-methoxy-5-methylphenyl)butanamide
PubChem CID9172738
Molecular FormulaC18H20ClNO3
Molecular Weight333.82 g/mol
Exact Mass333.11
IUPAC Name(2S)-2-(4-chlorophenoxy)-N-(2-methoxy-5-methylphenyl)butanamide
SMILESCC[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1cc(C)ccc1OC
InChIInChI=1S/C18H20ClNO3/c1-4-16(23-14-8-6-13(19)7-9-14)18(21)20-15-11-12(2)5-10-17(15)22-3/h5-11,16H,4H2,1-3H3,(H,20,21)/t16-/m0/s1
InChIKeyXJUISJHLOFITCX-INIZCTEOSA-N
XLogP4.45
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(3,4-dimethylphenoxy)-N-(2-methoxy-5-methylphenyl)butanamide
CID 94013147
(2R)-N-(5-chloro-2-methoxyphenyl)-2-(2,5-dimethylphenoxy)butanamide
CID 92673580
(2S)-2-(4-chlorophenoxy)-N-(2,4-dimethoxyphenyl)butanamide
CID 9173271
2-(2,4-dimethylphenoxy)-N-(2-methoxy-5-methylphenyl)butanamide
CID 132651179
(2R)-N-(2,5-dimethoxyphenyl)-2-(4-methoxyphenoxy)butanamide
CID 42082643
(2R)-2-(2,5-dimethylphenoxy)-N-(2-methoxy-5-methylphenyl)butanamide
CID 28635073
(2R)-N-(5-chloro-2-methoxyphenyl)-2-(3-methoxyphenoxy)butanamide
CID 92679526
(2R)-N-(2,5-dimethoxyphenyl)-2-(2,5-dimethylphenoxy)butanamide
CID 28565428
(2R)-N-(2,5-dimethylphenyl)-2-(4-methoxyphenoxy)butanamide
CID 42082545
(2R)-N-(2,5-dimethoxyphenyl)-2-(3,4-dimethylphenoxy)butanamide
CID 28576208
(2R)-N-(5-chloro-2-methoxyphenyl)-2-(2-methoxyphenoxy)butanamide
CID 40746091
N-(5-chloro-2-methoxyphenyl)-2-(2-methylphenoxy)butanamide
CID 43916218

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-chlorophenoxy)-N-(2-methoxy-5-methylphenyl)butanamide?
The IUPAC name of (2S)-2-(4-chlorophenoxy)-N-(2-methoxy-5-methylphenyl)butanamide (CID 9172738) is (2S)-2-(4-chlorophenoxy)-N-(2-methoxy-5-methylphenyl)butanamide.
What is the SMILES notation for (2S)-2-(4-chlorophenoxy)-N-(2-methoxy-5-methylphenyl)butanamide?
The canonical SMILES for (2S)-2-(4-chlorophenoxy)-N-(2-methoxy-5-methylphenyl)butanamide is CC[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1cc(C)ccc1OC.
What is the InChIKey of (2S)-2-(4-chlorophenoxy)-N-(2-methoxy-5-methylphenyl)butanamide?
The InChIKey is XJUISJHLOFITCX-INIZCTEOSA-N. The full InChI is InChI=1S/C18H20ClNO3/c1-4-16(23-14-8-6-13(19)7-9-14)18(21)20-15-11-12(2)5-10-17(15)22-3/h5-11,16H,4H2,1-3H3,(H,20,21)/t16-/m0/s1.
What are the key properties of (2S)-2-(4-chlorophenoxy)-N-(2-methoxy-5-methylphenyl)butanamide?
(2S)-2-(4-chlorophenoxy)-N-(2-methoxy-5-methylphenyl)butanamide has a molecular weight of 333.82 g/mol, XLogP of 4.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-chlorophenoxy)-N-(2-methoxy-5-methylphenyl)butanamide is sourced from PubChem (CID 9172738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).