(2R)-N-[(4-imidazol-1-ylphenyl)methyl]-2-(3-methoxyphenoxy)propanamide

C20H21N3O3 — CID 28574947

IUPAC(2R)-N-[(4-imidazol-1-ylphenyl)methyl]-2-(3-methoxyphenoxy)propanamide
SMILESCOc1cccc(O[C@H](C)C(=O)NCc2ccc(-n3ccnc3)cc2)c1
InChIInChI=1S/C20H21N3O3/c1-15(26-19-5-3-4-18(12-19)25-2)20(24)22-13-16-6-8-17(9-7-16)23-11-10-21-14-23/h3-12,14-15H,13H2,1-2H3,(H,22,24)/t15-/m1/s1
InChIKeyPQAKAOLTFBPNOM-OAHLLOKOSA-N
MW351.41 g/mol
LogP2.96
Rot. Bonds7

About (2R)-N-[(4-imidazol-1-ylphenyl)methyl]-2-(3-methoxyphenoxy)propanamide

(2R)-N-[(4-imidazol-1-ylphenyl)methyl]-2-(3-methoxyphenoxy)propanamide (PubChem CID 28574947) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is (2R)-N-[(4-imidazol-1-ylphenyl)methyl]-2-(3-methoxyphenoxy)propanamide.

Molecular Properties

Compound Name(2R)-N-[(4-imidazol-1-ylphenyl)methyl]-2-(3-methoxyphenoxy)propanamide
PubChem CID28574947
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Name(2R)-N-[(4-imidazol-1-ylphenyl)methyl]-2-(3-methoxyphenoxy)propanamide
SMILESCOc1cccc(O[C@H](C)C(=O)NCc2ccc(-n3ccnc3)cc2)c1
InChIInChI=1S/C20H21N3O3/c1-15(26-19-5-3-4-18(12-19)25-2)20(24)22-13-16-6-8-17(9-7-16)23-11-10-21-14-23/h3-12,14-15H,13H2,1-2H3,(H,22,24)/t15-/m1/s1
InChIKeyPQAKAOLTFBPNOM-OAHLLOKOSA-N
XLogP2.96
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-(3-chlorophenoxy)-N-[(4-imidazol-1-ylphenyl)methyl]propanamide
CID 28636872
2-(4-fluorophenoxy)-N-[(4-imidazol-1-ylphenyl)methyl]propanamide
CID 132760959
(2R)-N-[(4-imidazol-1-ylphenyl)methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 100546752
(2S)-2-(3-methoxyphenoxy)-N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]propanamide
CID 92676020
(2R)-2-(3-methoxyphenoxy)-N-[(4-pyrrolidin-1-ylphenyl)methyl]propanamide
CID 99959505
(2R)-N-[(4-fluorophenyl)methyl]-2-(3-methoxyphenoxy)propanamide
CID 92675443
4-imidazol-1-yl-N-[(4-methoxyphenyl)methyl]benzamide
CID 31533303
N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-(3-methoxyphenyl)acetamide
CID 18112943
(2R)-N-[(4-imidazol-1-ylphenyl)methyl]-2-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 92680776
3-[(4-imidazol-1-ylphenyl)methyl]-1-[(4-methoxyphenyl)methyl]-1-methylurea
CID 86850598
(2S)-2-(3-chlorophenoxy)-N-[(2-imidazol-1-ylphenyl)methyl]propanamide
CID 99957835
(2S)-N-[(4-methoxyphenyl)methyl]-2-phenoxypropanamide
CID 831480

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(4-imidazol-1-ylphenyl)methyl]-2-(3-methoxyphenoxy)propanamide?
The IUPAC name of (2R)-N-[(4-imidazol-1-ylphenyl)methyl]-2-(3-methoxyphenoxy)propanamide (CID 28574947) is (2R)-N-[(4-imidazol-1-ylphenyl)methyl]-2-(3-methoxyphenoxy)propanamide.
What is the SMILES notation for (2R)-N-[(4-imidazol-1-ylphenyl)methyl]-2-(3-methoxyphenoxy)propanamide?
The canonical SMILES for (2R)-N-[(4-imidazol-1-ylphenyl)methyl]-2-(3-methoxyphenoxy)propanamide is COc1cccc(O[C@H](C)C(=O)NCc2ccc(-n3ccnc3)cc2)c1.
What is the InChIKey of (2R)-N-[(4-imidazol-1-ylphenyl)methyl]-2-(3-methoxyphenoxy)propanamide?
The InChIKey is PQAKAOLTFBPNOM-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-15(26-19-5-3-4-18(12-19)25-2)20(24)22-13-16-6-8-17(9-7-16)23-11-10-21-14-23/h3-12,14-15H,13H2,1-2H3,(H,22,24)/t15-/m1/s1.
What are the key properties of (2R)-N-[(4-imidazol-1-ylphenyl)methyl]-2-(3-methoxyphenoxy)propanamide?
(2R)-N-[(4-imidazol-1-ylphenyl)methyl]-2-(3-methoxyphenoxy)propanamide has a molecular weight of 351.41 g/mol, XLogP of 2.96, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(4-imidazol-1-ylphenyl)methyl]-2-(3-methoxyphenoxy)propanamide is sourced from PubChem (CID 28574947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).