3-(3-ethylmorpholine-4-carbonyl)-N'-hydroxybenzenecarboximidamide

C14H19N3O3 — CID 43613610

IUPAC3-(3-ethylmorpholine-4-carbonyl)-N'-hydroxybenzenecarboximidamide
SMILESCCC1COCCN1C(=O)c1cccc(/C(N)=N/O)c1
InChIInChI=1S/C14H19N3O3/c1-2-12-9-20-7-6-17(12)14(18)11-5-3-4-10(8-11)13(15)16-19/h3-5,8,12,19H,2,6-7,9H2,1H3,(H2,15,16)
InChIKeyMOMPDISREIVBMZ-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.03
Rot. Bonds3

About 3-(3-ethylmorpholine-4-carbonyl)-N'-hydroxybenzenecarboximidamide

3-(3-ethylmorpholine-4-carbonyl)-N'-hydroxybenzenecarboximidamide (PubChem CID 43613610) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 3-(3-ethylmorpholine-4-carbonyl)-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name3-(3-ethylmorpholine-4-carbonyl)-N'-hydroxybenzenecarboximidamide
PubChem CID43613610
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name3-(3-ethylmorpholine-4-carbonyl)-N'-hydroxybenzenecarboximidamide
SMILESCCC1COCCN1C(=O)c1cccc(/C(N)=N/O)c1
InChIInChI=1S/C14H19N3O3/c1-2-12-9-20-7-6-17(12)14(18)11-5-3-4-10(8-11)13(15)16-19/h3-5,8,12,19H,2,6-7,9H2,1H3,(H2,15,16)
InChIKeyMOMPDISREIVBMZ-UHFFFAOYSA-N
XLogP1.03
TPSA88.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.03
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

[(3R)-3-ethylmorpholin-4-yl]-[3-(propan-2-ylamino)phenyl]methanone
CID 96536811
[4-(aminomethyl)phenyl]-(3-ethylmorpholin-4-yl)methanone
CID 43611605
(3-chloro-4-hydroxyphenyl)-(3-ethylmorpholin-4-yl)methanone
CID 43613528
(3-ethylmorpholin-4-yl)-(1,2,3,4-tetrahydroquinoxalin-6-yl)methanone
CID 104614640
[(3S)-3-ethylmorpholin-4-yl]-[2-(methylamino)-4-pyridinyl]methanone
CID 70772603
(2-amino-6-methoxyphenyl)-(3-ethylmorpholin-4-yl)methanone
CID 81420429
N'-hydroxy-3-[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]benzenecarboximidamide
CID 76944197
N'-hydroxy-3-[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]benzenecarboximidamide
CID 81198524
4-(3-ethylmorpholin-4-yl)-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 43658211
4-(2-ethylpyrrolidine-1-carbonyl)-N'-hydroxybenzenecarboximidamide
CID 54885605
3-(3,5-dimethylpiperidine-1-carbonyl)-N'-hydroxybenzenecarboximidamide
CID 43333169
3-[3-[(3S)-3-ethylmorpholine-4-carbonyl]phenyl]chromen-2-one
CID 171908503

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethylmorpholine-4-carbonyl)-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 3-(3-ethylmorpholine-4-carbonyl)-N'-hydroxybenzenecarboximidamide (CID 43613610) is 3-(3-ethylmorpholine-4-carbonyl)-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 3-(3-ethylmorpholine-4-carbonyl)-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 3-(3-ethylmorpholine-4-carbonyl)-N'-hydroxybenzenecarboximidamide is CCC1COCCN1C(=O)c1cccc(/C(N)=N/O)c1.
What is the InChIKey of 3-(3-ethylmorpholine-4-carbonyl)-N'-hydroxybenzenecarboximidamide?
The InChIKey is MOMPDISREIVBMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-2-12-9-20-7-6-17(12)14(18)11-5-3-4-10(8-11)13(15)16-19/h3-5,8,12,19H,2,6-7,9H2,1H3,(H2,15,16).
What are the key properties of 3-(3-ethylmorpholine-4-carbonyl)-N'-hydroxybenzenecarboximidamide?
3-(3-ethylmorpholine-4-carbonyl)-N'-hydroxybenzenecarboximidamide has a molecular weight of 277.32 g/mol, XLogP of 1.03, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethylmorpholine-4-carbonyl)-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 43613610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).