(2R,3S)-N-[1-(3-imidazol-1-ylphenyl)ethyl]-2-methylmorpholine-3-carboxamide

C17H22N4O2 — CID 120942758

IUPAC(2R,3S)-N-[1-(3-imidazol-1-ylphenyl)ethyl]-2-methylmorpholine-3-carboxamide
SMILESCC(NC(=O)[C@H]1NCCO[C@@H]1C)c1cccc(-n2ccnc2)c1
InChIInChI=1S/C17H22N4O2/c1-12(20-17(22)16-13(2)23-9-7-19-16)14-4-3-5-15(10-14)21-8-6-18-11-21/h3-6,8,10-13,16,19H,7,9H2,1-2H3,(H,20,22)/t12?,13-,16+/m1/s1
InChIKeyPZAAVCYOZSRIQA-QVNUIZJESA-N
MW314.39 g/mol
LogP1.43
Rot. Bonds4

About (2R,3S)-N-[1-(3-imidazol-1-ylphenyl)ethyl]-2-methylmorpholine-3-carboxamide

(2R,3S)-N-[1-(3-imidazol-1-ylphenyl)ethyl]-2-methylmorpholine-3-carboxamide (PubChem CID 120942758) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is (2R,3S)-N-[1-(3-imidazol-1-ylphenyl)ethyl]-2-methylmorpholine-3-carboxamide.

Molecular Properties

Compound Name(2R,3S)-N-[1-(3-imidazol-1-ylphenyl)ethyl]-2-methylmorpholine-3-carboxamide
PubChem CID120942758
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name(2R,3S)-N-[1-(3-imidazol-1-ylphenyl)ethyl]-2-methylmorpholine-3-carboxamide
SMILESCC(NC(=O)[C@H]1NCCO[C@@H]1C)c1cccc(-n2ccnc2)c1
InChIInChI=1S/C17H22N4O2/c1-12(20-17(22)16-13(2)23-9-7-19-16)14-4-3-5-15(10-14)21-8-6-18-11-21/h3-6,8,10-13,16,19H,7,9H2,1-2H3,(H,20,22)/t12?,13-,16+/m1/s1
InChIKeyPZAAVCYOZSRIQA-QVNUIZJESA-N
XLogP1.43
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,3S)-2-methyl-N-[1-(3-pyrazol-1-ylphenyl)ethyl]morpholine-3-carboxamide
CID 120933166
N-[1-(3-imidazol-1-ylphenyl)ethyl]morpholine-3-carboxamide
CID 119899645
(2S,4S)-N-[1-(3-imidazol-1-ylphenyl)ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120637803
N-[1-(3-imidazol-1-ylphenyl)ethyl]acetamide
CID 175743937
(2R,3S)-2-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]morpholine-3-carboxamide
CID 120918965
N-(1,3-dioxolan-2-ylmethyl)-1-(3-imidazol-1-ylphenyl)ethanamine
CID 86818574
(2R,3S)-N-[1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-methylmorpholine-3-carboxamide;dihydrochloride
CID 120942394
N-[1-(3-imidazol-1-ylphenyl)ethyl]-2-thiomorpholin-3-ylacetamide
CID 119942551
(2R,3S)-N-(1-imidazol-1-ylpropan-2-yl)-2-methylmorpholine-3-carboxamide
CID 120939612
(E)-3-(furan-2-yl)-N-[1-(3-imidazol-1-ylphenyl)ethyl]prop-2-enamide
CID 75407981
(2R,3S)-N-[1-(4-bromophenyl)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120928221
N-[1-(3-imidazol-1-ylphenyl)ethyl]-4-methoxypiperidine-4-carboxamide
CID 119899677

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N-[1-(3-imidazol-1-ylphenyl)ethyl]-2-methylmorpholine-3-carboxamide?
The IUPAC name of (2R,3S)-N-[1-(3-imidazol-1-ylphenyl)ethyl]-2-methylmorpholine-3-carboxamide (CID 120942758) is (2R,3S)-N-[1-(3-imidazol-1-ylphenyl)ethyl]-2-methylmorpholine-3-carboxamide.
What is the SMILES notation for (2R,3S)-N-[1-(3-imidazol-1-ylphenyl)ethyl]-2-methylmorpholine-3-carboxamide?
The canonical SMILES for (2R,3S)-N-[1-(3-imidazol-1-ylphenyl)ethyl]-2-methylmorpholine-3-carboxamide is CC(NC(=O)[C@H]1NCCO[C@@H]1C)c1cccc(-n2ccnc2)c1.
What is the InChIKey of (2R,3S)-N-[1-(3-imidazol-1-ylphenyl)ethyl]-2-methylmorpholine-3-carboxamide?
The InChIKey is PZAAVCYOZSRIQA-QVNUIZJESA-N. The full InChI is InChI=1S/C17H22N4O2/c1-12(20-17(22)16-13(2)23-9-7-19-16)14-4-3-5-15(10-14)21-8-6-18-11-21/h3-6,8,10-13,16,19H,7,9H2,1-2H3,(H,20,22)/t12?,13-,16+/m1/s1.
What are the key properties of (2R,3S)-N-[1-(3-imidazol-1-ylphenyl)ethyl]-2-methylmorpholine-3-carboxamide?
(2R,3S)-N-[1-(3-imidazol-1-ylphenyl)ethyl]-2-methylmorpholine-3-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 1.43, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N-[1-(3-imidazol-1-ylphenyl)ethyl]-2-methylmorpholine-3-carboxamide is sourced from PubChem (CID 120942758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).