(2S)-2-(3-chlorophenoxy)-N-[(1R)-1-(4-methoxyphenyl)propyl]butanamide

C20H24ClNO3 — CID 99131462

IUPAC(2S)-2-(3-chlorophenoxy)-N-[(1R)-1-(4-methoxyphenyl)propyl]butanamide
SMILESCC[C@H](Oc1cccc(Cl)c1)C(=O)N[C@H](CC)c1ccc(OC)cc1
InChIInChI=1S/C20H24ClNO3/c1-4-18(14-9-11-16(24-3)12-10-14)22-20(23)19(5-2)25-17-8-6-7-15(21)13-17/h6-13,18-19H,4-5H2,1-3H3,(H,22,23)/t18-,19+/m1/s1
InChIKeyJRJDVYHVZGLOQB-MOPGFXCFSA-N
MW361.87 g/mol
LogP4.77
Rot. Bonds8

About (2S)-2-(3-chlorophenoxy)-N-[(1R)-1-(4-methoxyphenyl)propyl]butanamide

(2S)-2-(3-chlorophenoxy)-N-[(1R)-1-(4-methoxyphenyl)propyl]butanamide (PubChem CID 99131462) has the molecular formula C20H24ClNO3 and a molecular weight of 361.87 g/mol. Its IUPAC name is (2S)-2-(3-chlorophenoxy)-N-[(1R)-1-(4-methoxyphenyl)propyl]butanamide.

Molecular Properties

Compound Name(2S)-2-(3-chlorophenoxy)-N-[(1R)-1-(4-methoxyphenyl)propyl]butanamide
PubChem CID99131462
Molecular FormulaC20H24ClNO3
Molecular Weight361.87 g/mol
Exact Mass361.14
IUPAC Name(2S)-2-(3-chlorophenoxy)-N-[(1R)-1-(4-methoxyphenyl)propyl]butanamide
SMILESCC[C@H](Oc1cccc(Cl)c1)C(=O)N[C@H](CC)c1ccc(OC)cc1
InChIInChI=1S/C20H24ClNO3/c1-4-18(14-9-11-16(24-3)12-10-14)22-20(23)19(5-2)25-17-8-6-7-15(21)13-17/h6-13,18-19H,4-5H2,1-3H3,(H,22,23)/t18-,19+/m1/s1
InChIKeyJRJDVYHVZGLOQB-MOPGFXCFSA-N
XLogP4.77
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.87
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(3-chlorophenoxy)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]butanamide
CID 94027354
2-(3-chlorophenoxy)-N-[1-(3,4-dimethoxyphenyl)propyl]butanamide
CID 132659513
(2R)-N-[(1R)-1-(4-methoxyphenyl)propyl]-2-(3-methylphenoxy)butanamide
CID 92682628
2-(3-chlorophenoxy)-N-[1-(4-methoxyphenoxy)propan-2-yl]butanamide
CID 43877185
(2S)-2-(2-methoxyphenoxy)-N-[(1R)-1-(4-methoxyphenyl)propyl]butanamide
CID 99132381
2-(3-chlorophenyl)-N-[(1R)-1-(4-methoxyphenyl)propyl]acetamide
CID 100622666
2-(3-methoxyphenoxy)-N-[1-(4-methylsulfonylphenyl)propyl]butanamide
CID 132662597
(2R)-2-(3-chlorophenoxy)-N-[2-(4-methoxyphenyl)ethyl]butanamide
CID 28635444
(2S)-2-(3-chlorophenoxy)-N-[2-(4-methoxyphenyl)ethyl]butanamide
CID 28635445
(2R)-2-(3-methoxyphenoxy)-N-[(1S)-1-(4-methoxyphenyl)ethyl]butanamide
CID 99131338
2-(3-chlorophenoxy)-N-[1-(2,4-dimethylphenyl)propyl]butanamide
CID 132654216
(2S)-2-(3-chlorophenoxy)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]propanamide
CID 94019584

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-chlorophenoxy)-N-[(1R)-1-(4-methoxyphenyl)propyl]butanamide?
The IUPAC name of (2S)-2-(3-chlorophenoxy)-N-[(1R)-1-(4-methoxyphenyl)propyl]butanamide (CID 99131462) is (2S)-2-(3-chlorophenoxy)-N-[(1R)-1-(4-methoxyphenyl)propyl]butanamide.
What is the SMILES notation for (2S)-2-(3-chlorophenoxy)-N-[(1R)-1-(4-methoxyphenyl)propyl]butanamide?
The canonical SMILES for (2S)-2-(3-chlorophenoxy)-N-[(1R)-1-(4-methoxyphenyl)propyl]butanamide is CC[C@H](Oc1cccc(Cl)c1)C(=O)N[C@H](CC)c1ccc(OC)cc1.
What is the InChIKey of (2S)-2-(3-chlorophenoxy)-N-[(1R)-1-(4-methoxyphenyl)propyl]butanamide?
The InChIKey is JRJDVYHVZGLOQB-MOPGFXCFSA-N. The full InChI is InChI=1S/C20H24ClNO3/c1-4-18(14-9-11-16(24-3)12-10-14)22-20(23)19(5-2)25-17-8-6-7-15(21)13-17/h6-13,18-19H,4-5H2,1-3H3,(H,22,23)/t18-,19+/m1/s1.
What are the key properties of (2S)-2-(3-chlorophenoxy)-N-[(1R)-1-(4-methoxyphenyl)propyl]butanamide?
(2S)-2-(3-chlorophenoxy)-N-[(1R)-1-(4-methoxyphenyl)propyl]butanamide has a molecular weight of 361.87 g/mol, XLogP of 4.77, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-chlorophenoxy)-N-[(1R)-1-(4-methoxyphenyl)propyl]butanamide is sourced from PubChem (CID 99131462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).