(2S)-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]-2-phenylmorpholine-4-carboxamide

C22H24N4O2 — CID 97186019

IUPAC(2S)-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]-2-phenylmorpholine-4-carboxamide
SMILESC[C@H](NC(=O)N1CCO[C@@H](c2ccccc2)C1)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C22H24N4O2/c1-17(18-7-9-20(10-8-18)26-12-11-23-16-26)24-22(27)25-13-14-28-21(15-25)19-5-3-2-4-6-19/h2-12,16-17,21H,13-15H2,1H3,(H,24,27)/t17-,21+/m0/s1
InChIKeyBYNQRZLEZKRIPD-LAUBAEHRSA-N
MW376.46 g/mol
LogP3.72
Rot. Bonds4

About (2S)-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]-2-phenylmorpholine-4-carboxamide

(2S)-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]-2-phenylmorpholine-4-carboxamide (PubChem CID 97186019) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is (2S)-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]-2-phenylmorpholine-4-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]-2-phenylmorpholine-4-carboxamide
PubChem CID97186019
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name(2S)-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]-2-phenylmorpholine-4-carboxamide
SMILESC[C@H](NC(=O)N1CCO[C@@H](c2ccccc2)C1)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C22H24N4O2/c1-17(18-7-9-20(10-8-18)26-12-11-23-16-26)24-22(27)25-13-14-28-21(15-25)19-5-3-2-4-6-19/h2-12,16-17,21H,13-15H2,1H3,(H,24,27)/t17-,21+/m0/s1
InChIKeyBYNQRZLEZKRIPD-LAUBAEHRSA-N
XLogP3.72
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
imidazol-1-yl-(2-phenylmorpholin-4-yl)methanone
CID 112725534
(2S)-2-(2-chlorophenyl)-N-[(1R)-1-pyridin-4-ylethyl]morpholine-4-carboxamide
CID 95303634
N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]-4-morpholin-4-yl-4-oxobutanamide
CID 27812555
N-[1-(4-imidazol-1-ylphenyl)ethyl]-4-morpholin-4-yl-4-oxobutanamide
CID 42887582
(2R,3R)-2,3-dihydroxy-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]butanamide
CID 58751924
(2S)-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-2-phenylbutanamide
CID 35061240
(2-phenylmorpholin-4-yl)-(4-propan-2-ylphenyl)methanone
CID 84510718
1-[1-(4-imidazol-1-ylphenyl)ethyl]-3-pyridin-3-ylurea
CID 18129096
1-benzyl-3-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]-1-methylurea
CID 51928394
N-[1-(4-imidazol-1-ylphenyl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 18112957

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]-2-phenylmorpholine-4-carboxamide?
The IUPAC name of (2S)-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]-2-phenylmorpholine-4-carboxamide (CID 97186019) is (2S)-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]-2-phenylmorpholine-4-carboxamide.
What is the SMILES notation for (2S)-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]-2-phenylmorpholine-4-carboxamide?
The canonical SMILES for (2S)-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]-2-phenylmorpholine-4-carboxamide is C[C@H](NC(=O)N1CCO[C@@H](c2ccccc2)C1)c1ccc(-n2ccnc2)cc1.
What is the InChIKey of (2S)-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]-2-phenylmorpholine-4-carboxamide?
The InChIKey is BYNQRZLEZKRIPD-LAUBAEHRSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-17(18-7-9-20(10-8-18)26-12-11-23-16-26)24-22(27)25-13-14-28-21(15-25)19-5-3-2-4-6-19/h2-12,16-17,21H,13-15H2,1H3,(H,24,27)/t17-,21+/m0/s1.
What are the key properties of (2S)-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]-2-phenylmorpholine-4-carboxamide?
(2S)-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]-2-phenylmorpholine-4-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]-2-phenylmorpholine-4-carboxamide is sourced from PubChem (CID 97186019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).