N'-hydroxy-4-(3-phenylpropyl)morpholine-2-carboximidamide

C14H21N3O2 — CID 79681239

IUPACN'-hydroxy-4-(3-phenylpropyl)morpholine-2-carboximidamide
SMILESNC(=NO)C1CN(CCCc2ccccc2)CCO1
InChIInChI=1S/C14H21N3O2/c15-14(16-18)13-11-17(9-10-19-13)8-4-7-12-5-2-1-3-6-12/h1-3,5-6,13,18H,4,7-11H2,(H2,15,16)
InChIKeyRNOAWCCWCPKFPU-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.07
Rot. Bonds5

About N'-hydroxy-4-(3-phenylpropyl)morpholine-2-carboximidamide

N'-hydroxy-4-(3-phenylpropyl)morpholine-2-carboximidamide (PubChem CID 79681239) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is N'-hydroxy-4-(3-phenylpropyl)morpholine-2-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-(3-phenylpropyl)morpholine-2-carboximidamide
PubChem CID79681239
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC NameN'-hydroxy-4-(3-phenylpropyl)morpholine-2-carboximidamide
SMILESNC(=NO)C1CN(CCCc2ccccc2)CCO1
InChIInChI=1S/C14H21N3O2/c15-14(16-18)13-11-17(9-10-19-13)8-4-7-12-5-2-1-3-6-12/h1-3,5-6,13,18H,4,7-11H2,(H2,15,16)
InChIKeyRNOAWCCWCPKFPU-UHFFFAOYSA-N
XLogP1.07
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.07
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'}

Analyze N'-hydroxy-4-(3-phenylpropyl)morpholine-2-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-4-benzyl-N'-hydroxymorpholine-2-carboximidamide
CID 51530238
4-(4-phenylbutyl)morpholine-2-carbothioamide
CID 114333646
methyl 4-(4-phenylbutyl)morpholine-2-carboxylate
CID 114334492
4-(2,2-difluoro-2-phenylethyl)-N'-hydroxymorpholine-2-carboximidamide
CID 116789560
N'-hydroxy-4-(4-methylpentyl)morpholine-2-carboximidamide
CID 83158543
N'-hydroxy-1-(4-phenylbutyl)piperidine-3-carboximidamide
CID 114333754
4-(2-cyclopropylethyl)-N'-hydroxymorpholine-2-carboximidamide
CID 79680425
N-[1-[(2S)-4-benzylmorpholin-2-yl]ethylidene]hydroxylamine
CID 124748373
N'-hydroxy-4-[2-(4-methoxyphenoxy)ethyl]morpholine-2-carboximidamide
CID 79670529
2-ethyl-4-(2-phenylethyl)morpholine
CID 59586000
N'-hydroxy-4-(2-methylsulfonylethyl)morpholine-2-carboximidamide
CID 79681146
N'-hydroxy-4-(2-hydroxybenzoyl)morpholine-2-carboximidamide
CID 79680984

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-(3-phenylpropyl)morpholine-2-carboximidamide?
The IUPAC name of N'-hydroxy-4-(3-phenylpropyl)morpholine-2-carboximidamide (CID 79681239) is N'-hydroxy-4-(3-phenylpropyl)morpholine-2-carboximidamide.
What is the SMILES notation for N'-hydroxy-4-(3-phenylpropyl)morpholine-2-carboximidamide?
The canonical SMILES for N'-hydroxy-4-(3-phenylpropyl)morpholine-2-carboximidamide is NC(=NO)C1CN(CCCc2ccccc2)CCO1.
What is the InChIKey of N'-hydroxy-4-(3-phenylpropyl)morpholine-2-carboximidamide?
The InChIKey is RNOAWCCWCPKFPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c15-14(16-18)13-11-17(9-10-19-13)8-4-7-12-5-2-1-3-6-12/h1-3,5-6,13,18H,4,7-11H2,(H2,15,16).
What are the key properties of N'-hydroxy-4-(3-phenylpropyl)morpholine-2-carboximidamide?
N'-hydroxy-4-(3-phenylpropyl)morpholine-2-carboximidamide has a molecular weight of 263.34 g/mol, XLogP of 1.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-(3-phenylpropyl)morpholine-2-carboximidamide is sourced from PubChem (CID 79681239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).