(2S)-2-(3-chlorophenoxy)-N-[(1S)-3-methyl-1-phenylbutyl]propanamide

C20H24ClNO2 — CID 92679279

IUPAC(2S)-2-(3-chlorophenoxy)-N-[(1S)-3-methyl-1-phenylbutyl]propanamide
SMILESCC(C)C[C@H](NC(=O)[C@H](C)Oc1cccc(Cl)c1)c1ccccc1
InChIInChI=1S/C20H24ClNO2/c1-14(2)12-19(16-8-5-4-6-9-16)22-20(23)15(3)24-18-11-7-10-17(21)13-18/h4-11,13-15,19H,12H2,1-3H3,(H,22,23)/t15-,19-/m0/s1
InChIKeyYLFIXYKYTWSLNH-KXBFYZLASA-N
MW345.87 g/mol
LogP5.01
Rot. Bonds7

About (2S)-2-(3-chlorophenoxy)-N-[(1S)-3-methyl-1-phenylbutyl]propanamide

(2S)-2-(3-chlorophenoxy)-N-[(1S)-3-methyl-1-phenylbutyl]propanamide (PubChem CID 92679279) has the molecular formula C20H24ClNO2 and a molecular weight of 345.87 g/mol. Its IUPAC name is (2S)-2-(3-chlorophenoxy)-N-[(1S)-3-methyl-1-phenylbutyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(3-chlorophenoxy)-N-[(1S)-3-methyl-1-phenylbutyl]propanamide
PubChem CID92679279
Molecular FormulaC20H24ClNO2
Molecular Weight345.87 g/mol
Exact Mass345.15
IUPAC Name(2S)-2-(3-chlorophenoxy)-N-[(1S)-3-methyl-1-phenylbutyl]propanamide
SMILESCC(C)C[C@H](NC(=O)[C@H](C)Oc1cccc(Cl)c1)c1ccccc1
InChIInChI=1S/C20H24ClNO2/c1-14(2)12-19(16-8-5-4-6-9-16)22-20(23)15(3)24-18-11-7-10-17(21)13-18/h4-11,13-15,19H,12H2,1-3H3,(H,22,23)/t15-,19-/m0/s1
InChIKeyYLFIXYKYTWSLNH-KXBFYZLASA-N
XLogP5.01
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.87
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(3-chlorophenoxy)-N-[(1R)-3-methyl-1-phenylbutyl]propanamide
CID 92679276
(2S)-2-(3-chlorophenoxy)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]propanamide
CID 94019584
(2R)-N-[(1R)-3-methyl-1-phenylbutyl]-2-phenoxypropanamide
CID 41198910
(2R)-2-(3-methylphenoxy)-N-[(1R)-3-methyl-1-phenylbutyl]propanamide
CID 92674586
(2R)-2-(4-chloro-3,5-dimethylphenoxy)-N-[(1R)-3-methyl-1-phenylbutyl]propanamide
CID 92680978
N-(1-amino-4-methylpentan-2-yl)-2-(3-chlorophenoxy)propanamide;hydrochloride
CID 119586806
(2S)-2-(4-fluorophenoxy)-N-[(1R)-3-methyl-1-phenylbutyl]propanamide
CID 94013029
(2S)-2-(3-chlorophenoxy)-N-pentan-3-ylpropanamide
CID 94087042
(2R)-2-(3-chlorophenoxy)-N-[2-[[(2R)-2-(3-chlorophenoxy)propanoyl]amino]ethyl]propanamide
CID 2165550
(2R)-2-(3-chlorophenoxy)-N-[(2S)-4-phenylbutan-2-yl]propanamide
CID 2169959
(2R)-2-(3-chlorophenoxy)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]butanamide
CID 94027354
2-(3-chlorophenoxy)-N-[(2-methylphenyl)-phenylmethyl]propanamide
CID 46772545

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-chlorophenoxy)-N-[(1S)-3-methyl-1-phenylbutyl]propanamide?
The IUPAC name of (2S)-2-(3-chlorophenoxy)-N-[(1S)-3-methyl-1-phenylbutyl]propanamide (CID 92679279) is (2S)-2-(3-chlorophenoxy)-N-[(1S)-3-methyl-1-phenylbutyl]propanamide.
What is the SMILES notation for (2S)-2-(3-chlorophenoxy)-N-[(1S)-3-methyl-1-phenylbutyl]propanamide?
The canonical SMILES for (2S)-2-(3-chlorophenoxy)-N-[(1S)-3-methyl-1-phenylbutyl]propanamide is CC(C)C[C@H](NC(=O)[C@H](C)Oc1cccc(Cl)c1)c1ccccc1.
What is the InChIKey of (2S)-2-(3-chlorophenoxy)-N-[(1S)-3-methyl-1-phenylbutyl]propanamide?
The InChIKey is YLFIXYKYTWSLNH-KXBFYZLASA-N. The full InChI is InChI=1S/C20H24ClNO2/c1-14(2)12-19(16-8-5-4-6-9-16)22-20(23)15(3)24-18-11-7-10-17(21)13-18/h4-11,13-15,19H,12H2,1-3H3,(H,22,23)/t15-,19-/m0/s1.
What are the key properties of (2S)-2-(3-chlorophenoxy)-N-[(1S)-3-methyl-1-phenylbutyl]propanamide?
(2S)-2-(3-chlorophenoxy)-N-[(1S)-3-methyl-1-phenylbutyl]propanamide has a molecular weight of 345.87 g/mol, XLogP of 5.01, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-chlorophenoxy)-N-[(1S)-3-methyl-1-phenylbutyl]propanamide is sourced from PubChem (CID 92679279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).