N'-hydroxy-4-[(2S)-4-[(1R)-1-phenylethyl]morpholin-2-yl]benzenecarboximidamide

C19H23N3O2 — CID 91313579

IUPACN'-hydroxy-4-[(2S)-4-[(1R)-1-phenylethyl]morpholin-2-yl]benzenecarboximidamide
SMILESC[C@H](c1ccccc1)N1CCO[C@@H](c2ccc(C(N)=NO)cc2)C1
InChIInChI=1S/C19H23N3O2/c1-14(15-5-3-2-4-6-15)22-11-12-24-18(13-22)16-7-9-17(10-8-16)19(20)21-23/h2-10,14,18,23H,11-13H2,1H3,(H2,20,21)/t14-,18-/m1/s1
InChIKeyPVIXPSJKRWQXIP-RDTXWAMCSA-N
MW325.41 g/mol
LogP2.92
Rot. Bonds4

About N'-hydroxy-4-[(2S)-4-[(1R)-1-phenylethyl]morpholin-2-yl]benzenecarboximidamide

N'-hydroxy-4-[(2S)-4-[(1R)-1-phenylethyl]morpholin-2-yl]benzenecarboximidamide (PubChem CID 91313579) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is N'-hydroxy-4-[(2S)-4-[(1R)-1-phenylethyl]morpholin-2-yl]benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-[(2S)-4-[(1R)-1-phenylethyl]morpholin-2-yl]benzenecarboximidamide
PubChem CID91313579
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC NameN'-hydroxy-4-[(2S)-4-[(1R)-1-phenylethyl]morpholin-2-yl]benzenecarboximidamide
SMILESC[C@H](c1ccccc1)N1CCO[C@@H](c2ccc(C(N)=NO)cc2)C1
InChIInChI=1S/C19H23N3O2/c1-14(15-5-3-2-4-6-15)22-11-12-24-18(13-22)16-7-9-17(10-8-16)19(20)21-23/h2-10,14,18,23H,11-13H2,1H3,(H2,20,21)/t14-,18-/m1/s1
InChIKeyPVIXPSJKRWQXIP-RDTXWAMCSA-N
XLogP2.92
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-(4-fluorophenyl)-4-[(1R)-1-phenylethyl]morpholine
CID 67352997
morpholin-4-yl-[4-[(2S)-4-[(1R)-1-phenylethyl]morpholin-2-yl]phenyl]methanone
CID 66594396
2-[4-[(2S)-4-[(1R)-1-phenylethyl]morpholin-2-yl]anilino]acetamide
CID 66703979
(2R)-2-(3-fluorophenyl)-4-[(1S)-1-phenylethyl]morpholine
CID 67352838
phenyl-[(2R)-4-[(1S)-1-phenylethyl]morpholin-2-yl]methanone
CID 71094651
(2R)-4-[(1R)-1-phenylethyl]morpholine-2-carbonitrile
CID 71421335
N-carbamoyl-2-[2-(4-fluorophenyl)morpholin-4-yl]-2-phenylacetamide
CID 47023095
2-(4-bromophenyl)-4-propan-2-ylmorpholine
CID 82184636
N-[(1R)-1-[4-[1-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]ethyl]phenyl]ethyl]methanesulfonamide;hydrochloride
CID 162313172
(NZ)-N-[1-[(3R)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]ethylidene]hydroxylamine
CID 87377197
(2S)-2-[(2R)-2-(4-bromophenyl)morpholin-4-yl]propanoic acid
CID 125130202
4-[2-(2-phenylmorpholin-4-yl)propyl]phenol
CID 44589190

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-[(2S)-4-[(1R)-1-phenylethyl]morpholin-2-yl]benzenecarboximidamide?
The IUPAC name of N'-hydroxy-4-[(2S)-4-[(1R)-1-phenylethyl]morpholin-2-yl]benzenecarboximidamide (CID 91313579) is N'-hydroxy-4-[(2S)-4-[(1R)-1-phenylethyl]morpholin-2-yl]benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-4-[(2S)-4-[(1R)-1-phenylethyl]morpholin-2-yl]benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-4-[(2S)-4-[(1R)-1-phenylethyl]morpholin-2-yl]benzenecarboximidamide is C[C@H](c1ccccc1)N1CCO[C@@H](c2ccc(C(N)=NO)cc2)C1.
What is the InChIKey of N'-hydroxy-4-[(2S)-4-[(1R)-1-phenylethyl]morpholin-2-yl]benzenecarboximidamide?
The InChIKey is PVIXPSJKRWQXIP-RDTXWAMCSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-14(15-5-3-2-4-6-15)22-11-12-24-18(13-22)16-7-9-17(10-8-16)19(20)21-23/h2-10,14,18,23H,11-13H2,1H3,(H2,20,21)/t14-,18-/m1/s1.
What are the key properties of N'-hydroxy-4-[(2S)-4-[(1R)-1-phenylethyl]morpholin-2-yl]benzenecarboximidamide?
N'-hydroxy-4-[(2S)-4-[(1R)-1-phenylethyl]morpholin-2-yl]benzenecarboximidamide has a molecular weight of 325.41 g/mol, XLogP of 2.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-[(2S)-4-[(1R)-1-phenylethyl]morpholin-2-yl]benzenecarboximidamide is sourced from PubChem (CID 91313579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).