3-(2-hydroxyphenyl)-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]propanamide

C20H21N3O2 — CID 27812010

IUPAC3-(2-hydroxyphenyl)-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]propanamide
SMILESC[C@@H](NC(=O)CCc1ccccc1O)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C20H21N3O2/c1-15(16-6-9-18(10-7-16)23-13-12-21-14-23)22-20(25)11-8-17-4-2-3-5-19(17)24/h2-7,9-10,12-15,24H,8,11H2,1H3,(H,22,25)/t15-/m1/s1
InChIKeyOEWJAUJJAXLONX-OAHLLOKOSA-N
MW335.41 g/mol
LogP3.39
Rot. Bonds6

About 3-(2-hydroxyphenyl)-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]propanamide

3-(2-hydroxyphenyl)-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]propanamide (PubChem CID 27812010) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 3-(2-hydroxyphenyl)-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-(2-hydroxyphenyl)-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]propanamide
PubChem CID27812010
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name3-(2-hydroxyphenyl)-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]propanamide
SMILESC[C@@H](NC(=O)CCc1ccccc1O)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C20H21N3O2/c1-15(16-6-9-18(10-7-16)23-13-12-21-14-23)22-20(25)11-8-17-4-2-3-5-19(17)24/h2-7,9-10,12-15,24H,8,11H2,1H3,(H,22,25)/t15-/m1/s1
InChIKeyOEWJAUJJAXLONX-OAHLLOKOSA-N
XLogP3.39
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]amino]methyl]phenol
CID 95300346
3-(furan-2-yl)-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]propanamide
CID 35799098
N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-naphthalen-2-ylacetamide
CID 43003584
1-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-3-[(1R)-1-phenylethyl]urea
CID 36870824
1,3-bis[1-(4-imidazol-1-ylphenyl)ethyl]urea
CID 174999274
N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 40809462
3-(2,5-dioxopyrrolidin-1-yl)-N-[1-(4-imidazol-1-ylphenyl)ethyl]propanamide
CID 18112952
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]propanamide
CID 40713174
(2S)-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-2-phenylbutanamide
CID 35061240
N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-(3-methoxyphenyl)acetamide
CID 18112943
N-[(1S)-3-[[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]amino]-3-oxo-1-phenylpropyl]benzamide
CID 41082924
N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]-4-morpholin-4-yl-4-oxobutanamide
CID 27812555

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyphenyl)-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]propanamide?
The IUPAC name of 3-(2-hydroxyphenyl)-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]propanamide (CID 27812010) is 3-(2-hydroxyphenyl)-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]propanamide.
What is the SMILES notation for 3-(2-hydroxyphenyl)-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]propanamide?
The canonical SMILES for 3-(2-hydroxyphenyl)-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]propanamide is C[C@@H](NC(=O)CCc1ccccc1O)c1ccc(-n2ccnc2)cc1.
What is the InChIKey of 3-(2-hydroxyphenyl)-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]propanamide?
The InChIKey is OEWJAUJJAXLONX-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-15(16-6-9-18(10-7-16)23-13-12-21-14-23)22-20(25)11-8-17-4-2-3-5-19(17)24/h2-7,9-10,12-15,24H,8,11H2,1H3,(H,22,25)/t15-/m1/s1.
What are the key properties of 3-(2-hydroxyphenyl)-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]propanamide?
3-(2-hydroxyphenyl)-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]propanamide has a molecular weight of 335.41 g/mol, XLogP of 3.39, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyphenyl)-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]propanamide is sourced from PubChem (CID 27812010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).