(2S)-2-(3-methoxyphenoxy)-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]propanamide

C21H23N3O3 — CID 92676020

IUPAC(2S)-2-(3-methoxyphenoxy)-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]propanamide
SMILESCOc1cccc(O[C@@H](C)C(=O)NCc2ccc(-n3ccnc3C)cc2)c1
InChIInChI=1S/C21H23N3O3/c1-15(27-20-6-4-5-19(13-20)26-3)21(25)23-14-17-7-9-18(10-8-17)24-12-11-22-16(24)2/h4-13,15H,14H2,1-3H3,(H,23,25)/t15-/m0/s1
InChIKeyWZZHKHNPTFKPPD-HNNXBMFYSA-N
MW365.43 g/mol
LogP3.27
Rot. Bonds7

About (2S)-2-(3-methoxyphenoxy)-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]propanamide

(2S)-2-(3-methoxyphenoxy)-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]propanamide (PubChem CID 92676020) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is (2S)-2-(3-methoxyphenoxy)-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(3-methoxyphenoxy)-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]propanamide
PubChem CID92676020
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name(2S)-2-(3-methoxyphenoxy)-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]propanamide
SMILESCOc1cccc(O[C@@H](C)C(=O)NCc2ccc(-n3ccnc3C)cc2)c1
InChIInChI=1S/C21H23N3O3/c1-15(27-20-6-4-5-19(13-20)26-3)21(25)23-14-17-7-9-18(10-8-17)24-12-11-22-16(24)2/h4-13,15H,14H2,1-3H3,(H,23,25)/t15-/m0/s1
InChIKeyWZZHKHNPTFKPPD-HNNXBMFYSA-N
XLogP3.27
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-(4-chlorophenoxy)-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]propanamide
CID 92650949
(2R)-N-[(4-imidazol-1-ylphenyl)methyl]-2-(3-methoxyphenoxy)propanamide
CID 28574947
(2R)-2-(3-methoxyphenoxy)-N-[(4-pyrrolidin-1-ylphenyl)methyl]propanamide
CID 99959505
(2S)-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]-2-(3-methylphenoxy)butanamide
CID 92683728
(2R)-N-[(4-fluorophenyl)methyl]-2-(3-methoxyphenoxy)propanamide
CID 92675443
2-(3-methoxyphenyl)-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]acetamide;2,2,2-trifluoroacetic acid
CID 154884880
(2S)-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-2-(3-methylphenoxy)propanamide
CID 92675979
N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]acetamide
CID 43907556
(2S)-2-(3-chlorophenoxy)-N-[(4-imidazol-1-ylphenyl)methyl]propanamide
CID 28636872
(2S)-N-[(4-methoxyphenyl)methyl]-2-phenoxypropanamide
CID 831480
(2R)-2-(3-fluorophenoxy)-N-[(4-methoxyphenyl)methyl]propanamide
CID 7834533
(2S)-2-(3-methoxyphenoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 100704874

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-methoxyphenoxy)-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]propanamide?
The IUPAC name of (2S)-2-(3-methoxyphenoxy)-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]propanamide (CID 92676020) is (2S)-2-(3-methoxyphenoxy)-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]propanamide.
What is the SMILES notation for (2S)-2-(3-methoxyphenoxy)-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]propanamide?
The canonical SMILES for (2S)-2-(3-methoxyphenoxy)-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]propanamide is COc1cccc(O[C@@H](C)C(=O)NCc2ccc(-n3ccnc3C)cc2)c1.
What is the InChIKey of (2S)-2-(3-methoxyphenoxy)-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]propanamide?
The InChIKey is WZZHKHNPTFKPPD-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-15(27-20-6-4-5-19(13-20)26-3)21(25)23-14-17-7-9-18(10-8-17)24-12-11-22-16(24)2/h4-13,15H,14H2,1-3H3,(H,23,25)/t15-/m0/s1.
What are the key properties of (2S)-2-(3-methoxyphenoxy)-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]propanamide?
(2S)-2-(3-methoxyphenoxy)-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]propanamide has a molecular weight of 365.43 g/mol, XLogP of 3.27, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-methoxyphenoxy)-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]propanamide is sourced from PubChem (CID 92676020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).