(2R)-N-[(4-imidazol-1-ylphenyl)methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide

C23H25N3O2 — CID 100546752

IUPAC(2R)-N-[(4-imidazol-1-ylphenyl)methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
SMILESC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NCc1ccc(-n2ccnc2)cc1
InChIInChI=1S/C23H25N3O2/c1-17(28-22-11-8-19-4-2-3-5-20(19)14-22)23(27)25-15-18-6-9-21(10-7-18)26-13-12-24-16-26/h6-14,16-17H,2-5,15H2,1H3,(H,25,27)/t17-/m1/s1
InChIKeyOOMSUTWXEHQUMH-QGZVFWFLSA-N
MW375.47 g/mol
LogP3.83
Rot. Bonds6

About (2R)-N-[(4-imidazol-1-ylphenyl)methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide

(2R)-N-[(4-imidazol-1-ylphenyl)methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide (PubChem CID 100546752) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is (2R)-N-[(4-imidazol-1-ylphenyl)methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide.

Molecular Properties

Compound Name(2R)-N-[(4-imidazol-1-ylphenyl)methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
PubChem CID100546752
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Name(2R)-N-[(4-imidazol-1-ylphenyl)methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
SMILESC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NCc1ccc(-n2ccnc2)cc1
InChIInChI=1S/C23H25N3O2/c1-17(28-22-11-8-19-4-2-3-5-20(19)14-22)23(27)25-15-18-6-9-21(10-7-18)26-13-12-24-16-26/h6-14,16-17H,2-5,15H2,1H3,(H,25,27)/t17-/m1/s1
InChIKeyOOMSUTWXEHQUMH-QGZVFWFLSA-N
XLogP3.83
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-fluorophenoxy)-N-[(4-imidazol-1-ylphenyl)methyl]propanamide
CID 132760959
(2R)-N-[(4-imidazol-1-ylphenyl)methyl]-2-(3-methoxyphenoxy)propanamide
CID 28574947
(2S)-2-(3-chlorophenoxy)-N-[(4-imidazol-1-ylphenyl)methyl]propanamide
CID 28636872
(2S)-N-benzyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 100509467
(2R)-N-[(4-morpholin-4-ylphenyl)methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 100717488
N-[[4-(3-methylpiperidin-1-yl)phenyl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 133200328
N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 133199284
(2S)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide
CID 100721079
N-[(3-ethoxyphenyl)methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 133235704
N-(3-methylbutyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 133235714
(2S)-N-[4-(pyridin-4-ylmethyl)phenyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 100558956
(2S)-N-[3-(4-methoxyphenyl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 100566149

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(4-imidazol-1-ylphenyl)methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide?
The IUPAC name of (2R)-N-[(4-imidazol-1-ylphenyl)methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide (CID 100546752) is (2R)-N-[(4-imidazol-1-ylphenyl)methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide.
What is the SMILES notation for (2R)-N-[(4-imidazol-1-ylphenyl)methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide?
The canonical SMILES for (2R)-N-[(4-imidazol-1-ylphenyl)methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide is C[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NCc1ccc(-n2ccnc2)cc1.
What is the InChIKey of (2R)-N-[(4-imidazol-1-ylphenyl)methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide?
The InChIKey is OOMSUTWXEHQUMH-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-17(28-22-11-8-19-4-2-3-5-20(19)14-22)23(27)25-15-18-6-9-21(10-7-18)26-13-12-24-16-26/h6-14,16-17H,2-5,15H2,1H3,(H,25,27)/t17-/m1/s1.
What are the key properties of (2R)-N-[(4-imidazol-1-ylphenyl)methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide?
(2R)-N-[(4-imidazol-1-ylphenyl)methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide has a molecular weight of 375.47 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(4-imidazol-1-ylphenyl)methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide is sourced from PubChem (CID 100546752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).