N'-hydroxy-3-[5-hydroxypentyl(methyl)amino]-2-phenylpropanimidamide

C15H25N3O2 — CID 107200128

IUPACN'-hydroxy-3-[5-hydroxypentyl(methyl)amino]-2-phenylpropanimidamide
SMILESCN(CCCCCO)CC(/C(N)=N/O)c1ccccc1
InChIInChI=1S/C15H25N3O2/c1-18(10-6-3-7-11-19)12-14(15(16)17-20)13-8-4-2-5-9-13/h2,4-5,8-9,14,19-20H,3,6-7,10-12H2,1H3,(H2,16,17)
InChIKeyYWEVHLILITYYJZ-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.61
Rot. Bonds9

About N'-hydroxy-3-[5-hydroxypentyl(methyl)amino]-2-phenylpropanimidamide

N'-hydroxy-3-[5-hydroxypentyl(methyl)amino]-2-phenylpropanimidamide (PubChem CID 107200128) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is N'-hydroxy-3-[5-hydroxypentyl(methyl)amino]-2-phenylpropanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[5-hydroxypentyl(methyl)amino]-2-phenylpropanimidamide
PubChem CID107200128
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC NameN'-hydroxy-3-[5-hydroxypentyl(methyl)amino]-2-phenylpropanimidamide
SMILESCN(CCCCCO)CC(/C(N)=N/O)c1ccccc1
InChIInChI=1S/C15H25N3O2/c1-18(10-6-3-7-11-19)12-14(15(16)17-20)13-8-4-2-5-9-13/h2,4-5,8-9,14,19-20H,3,6-7,10-12H2,1H3,(H2,16,17)
InChIKeyYWEVHLILITYYJZ-UHFFFAOYSA-N
XLogP1.61
TPSA82.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-3-[5-hydroxypentyl(methyl)amino]-2-phenylpropanimidamide 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

3-[(2,2-difluoro-3-hydroxypropyl)amino]-N'-hydroxy-2-phenylpropanimidamide
CID 106177205
5-fluoro-N'-hydroxy-2-[[5-hydroxypentyl(methyl)amino]methyl]benzenecarboximidamide
CID 107200127
3-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N'-hydroxy-2-phenylpropanimidamide
CID 107480154
N'-hydroxy-3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2-phenylpropanimidamide
CID 107480180
(3S,5R)-1-benzyl-N'-hydroxy-5-(hydroxymethyl)piperidine-3-carboximidamide
CID 57905049
2-[2-[3-(diethylamino)-2-hydroxypropyl]phenyl]-N'-hydroxyethanimidamide
CID 88762961
(3S,5R)-1-benzyl-N'-hydroxy-5-(hydroxymethyl)piperidine-3-carboximidamide
CID 90925126
5-(2-Phenylpropylamino)pentan-1-ol
CID 17207096
5-[[(2R)-2-phenylpropyl]amino]pentan-1-ol
CID 25864187
5-[[(2S)-2-phenylpropyl]amino]pentan-1-ol
CID 25864192
3-[ethyl(2-phenylethyl)amino]-N'-hydroxy-2-methylpropanimidamide
CID 54987677
N'-hydroxy-2-methyl-3-[methyl(2-phenylethyl)amino]propanimidamide
CID 54991977

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[5-hydroxypentyl(methyl)amino]-2-phenylpropanimidamide?
The IUPAC name of N'-hydroxy-3-[5-hydroxypentyl(methyl)amino]-2-phenylpropanimidamide (CID 107200128) is N'-hydroxy-3-[5-hydroxypentyl(methyl)amino]-2-phenylpropanimidamide.
What is the SMILES notation for N'-hydroxy-3-[5-hydroxypentyl(methyl)amino]-2-phenylpropanimidamide?
The canonical SMILES for N'-hydroxy-3-[5-hydroxypentyl(methyl)amino]-2-phenylpropanimidamide is CN(CCCCCO)CC(/C(N)=N/O)c1ccccc1.
What is the InChIKey of N'-hydroxy-3-[5-hydroxypentyl(methyl)amino]-2-phenylpropanimidamide?
The InChIKey is YWEVHLILITYYJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-18(10-6-3-7-11-19)12-14(15(16)17-20)13-8-4-2-5-9-13/h2,4-5,8-9,14,19-20H,3,6-7,10-12H2,1H3,(H2,16,17).
What are the key properties of N'-hydroxy-3-[5-hydroxypentyl(methyl)amino]-2-phenylpropanimidamide?
N'-hydroxy-3-[5-hydroxypentyl(methyl)amino]-2-phenylpropanimidamide has a molecular weight of 279.38 g/mol, XLogP of 1.61, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[5-hydroxypentyl(methyl)amino]-2-phenylpropanimidamide is sourced from PubChem (CID 107200128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).