(2S)-2-(4-chloro-3-methylphenoxy)-N-[(3-propan-2-yloxyphenyl)methyl]propanamide

C20H24ClNO3 — CID 99132987

IUPAC(2S)-2-(4-chloro-3-methylphenoxy)-N-[(3-propan-2-yloxyphenyl)methyl]propanamide
SMILESCc1cc(O[C@@H](C)C(=O)NCc2cccc(OC(C)C)c2)ccc1Cl
InChIInChI=1S/C20H24ClNO3/c1-13(2)24-17-7-5-6-16(11-17)12-22-20(23)15(4)25-18-8-9-19(21)14(3)10-18/h5-11,13,15H,12H2,1-4H3,(H,22,23)/t15-/m0/s1
InChIKeyXFXQNLODZNULAZ-HNNXBMFYSA-N
MW361.87 g/mol
LogP4.52
Rot. Bonds7

About (2S)-2-(4-chloro-3-methylphenoxy)-N-[(3-propan-2-yloxyphenyl)methyl]propanamide

(2S)-2-(4-chloro-3-methylphenoxy)-N-[(3-propan-2-yloxyphenyl)methyl]propanamide (PubChem CID 99132987) has the molecular formula C20H24ClNO3 and a molecular weight of 361.87 g/mol. Its IUPAC name is (2S)-2-(4-chloro-3-methylphenoxy)-N-[(3-propan-2-yloxyphenyl)methyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(4-chloro-3-methylphenoxy)-N-[(3-propan-2-yloxyphenyl)methyl]propanamide
PubChem CID99132987
Molecular FormulaC20H24ClNO3
Molecular Weight361.87 g/mol
Exact Mass361.14
IUPAC Name(2S)-2-(4-chloro-3-methylphenoxy)-N-[(3-propan-2-yloxyphenyl)methyl]propanamide
SMILESCc1cc(O[C@@H](C)C(=O)NCc2cccc(OC(C)C)c2)ccc1Cl
InChIInChI=1S/C20H24ClNO3/c1-13(2)24-17-7-5-6-16(11-17)12-22-20(23)15(4)25-18-8-9-19(21)14(3)10-18/h5-11,13,15H,12H2,1-4H3,(H,22,23)/t15-/m0/s1
InChIKeyXFXQNLODZNULAZ-HNNXBMFYSA-N
XLogP4.52
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.87
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(4-chloro-3-methylphenoxy)-N-(pyridin-3-ylmethyl)propanamide
CID 890845
(2S)-2-naphthalen-2-yloxy-N-[(3-propan-2-yloxyphenyl)methyl]propanamide
CID 99131030
2-(3,4-dimethylphenoxy)-N-[(3-methoxyphenyl)methyl]propanamide
CID 53286233
(2S)-2-(4-chloro-3-methylphenoxy)-N-[(2-methylphenyl)methyl]propanamide
CID 99132986
2-(4-chloro-3-methylphenoxy)-N-(3-propan-2-yloxyphenyl)propanamide
CID 132652829
2-(4-chloro-3-methylphenoxy)-N-[[4-(dimethylamino)phenyl]methyl]propanamide
CID 53288784
(2S)-2-(2,4-dimethylphenoxy)-N-[(3-propan-2-yloxyphenyl)methyl]propanamide
CID 99132322
N-[(3-propan-2-yloxyphenyl)methyl]-2-(2,3,5-trimethylphenoxy)propanamide
CID 43904321
(2R)-2-(4-chloro-3-methylphenoxy)-N-[(4-propan-2-yloxyphenyl)methyl]butanamide
CID 99133250
(2R)-2-phenoxy-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
CID 93234508
2-(4-chloro-3-methylphenoxy)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]propanamide
CID 55838261
(2R)-N-[(3-propan-2-yloxyphenyl)methyl]-2-(2-propan-2-ylphenoxy)propanamide
CID 92683578

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-chloro-3-methylphenoxy)-N-[(3-propan-2-yloxyphenyl)methyl]propanamide?
The IUPAC name of (2S)-2-(4-chloro-3-methylphenoxy)-N-[(3-propan-2-yloxyphenyl)methyl]propanamide (CID 99132987) is (2S)-2-(4-chloro-3-methylphenoxy)-N-[(3-propan-2-yloxyphenyl)methyl]propanamide.
What is the SMILES notation for (2S)-2-(4-chloro-3-methylphenoxy)-N-[(3-propan-2-yloxyphenyl)methyl]propanamide?
The canonical SMILES for (2S)-2-(4-chloro-3-methylphenoxy)-N-[(3-propan-2-yloxyphenyl)methyl]propanamide is Cc1cc(O[C@@H](C)C(=O)NCc2cccc(OC(C)C)c2)ccc1Cl.
What is the InChIKey of (2S)-2-(4-chloro-3-methylphenoxy)-N-[(3-propan-2-yloxyphenyl)methyl]propanamide?
The InChIKey is XFXQNLODZNULAZ-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H24ClNO3/c1-13(2)24-17-7-5-6-16(11-17)12-22-20(23)15(4)25-18-8-9-19(21)14(3)10-18/h5-11,13,15H,12H2,1-4H3,(H,22,23)/t15-/m0/s1.
What are the key properties of (2S)-2-(4-chloro-3-methylphenoxy)-N-[(3-propan-2-yloxyphenyl)methyl]propanamide?
(2S)-2-(4-chloro-3-methylphenoxy)-N-[(3-propan-2-yloxyphenyl)methyl]propanamide has a molecular weight of 361.87 g/mol, XLogP of 4.52, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-chloro-3-methylphenoxy)-N-[(3-propan-2-yloxyphenyl)methyl]propanamide is sourced from PubChem (CID 99132987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).