3-[cyclobutyl(3-hydroxypropyl)amino]-N'-hydroxy-2-phenylpropanimidamide

C16H25N3O2 — CID 102862953

IUPAC3-[cyclobutyl(3-hydroxypropyl)amino]-N'-hydroxy-2-phenylpropanimidamide
SMILESN/C(=N/O)C(CN(CCCO)C1CCC1)c1ccccc1
InChIInChI=1S/C16H25N3O2/c17-16(18-21)15(13-6-2-1-3-7-13)12-19(10-5-11-20)14-8-4-9-14/h1-3,6-7,14-15,20-21H,4-5,8-12H2,(H2,17,18)
InChIKeyQVXILMCFKSFJNL-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.75
Rot. Bonds8

About 3-[cyclobutyl(3-hydroxypropyl)amino]-N'-hydroxy-2-phenylpropanimidamide

3-[cyclobutyl(3-hydroxypropyl)amino]-N'-hydroxy-2-phenylpropanimidamide (PubChem CID 102862953) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 3-[cyclobutyl(3-hydroxypropyl)amino]-N'-hydroxy-2-phenylpropanimidamide.

Molecular Properties

Compound Name3-[cyclobutyl(3-hydroxypropyl)amino]-N'-hydroxy-2-phenylpropanimidamide
PubChem CID102862953
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name3-[cyclobutyl(3-hydroxypropyl)amino]-N'-hydroxy-2-phenylpropanimidamide
SMILESN/C(=N/O)C(CN(CCCO)C1CCC1)c1ccccc1
InChIInChI=1S/C16H25N3O2/c17-16(18-21)15(13-6-2-1-3-7-13)12-19(10-5-11-20)14-8-4-9-14/h1-3,6-7,14-15,20-21H,4-5,8-12H2,(H2,17,18)
InChIKeyQVXILMCFKSFJNL-UHFFFAOYSA-N
XLogP1.75
TPSA82.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.75
H-Bond Donors ≤ 53
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

3-[cyclopropyl(2-hydroxyethyl)amino]-N'-hydroxy-2-phenylpropanimidamide
CID 77043799
3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-N'-hydroxy-2-phenylpropanimidamide
CID 77044047
N'-hydroxy-3-[5-hydroxypentyl(methyl)amino]-2-phenylpropanimidamide
CID 107200128
N'-hydroxy-3-[methyl-(3-methylcyclohexyl)amino]-2-phenylpropanimidamide
CID 77043636
N'-hydroxy-3-[methyl(oxan-4-yl)amino]-2-phenylpropanimidamide
CID 77043794
N'-hydroxy-3-[(2-hydroxycyclohexyl)-methylamino]-2-phenylpropanimidamide
CID 102632415
2-[[cyclobutyl(3-hydroxypropyl)amino]methyl]-N'-hydroxybenzenecarboximidamide
CID 102862932
3-[(2-amino-2-oxoethyl)-cyclopentylamino]-2-phenylpropanoic acid
CID 64567098
3-cyclohexylsulfanyl-N'-hydroxy-2-phenylpropanimidamide
CID 77044152
3-[cyclobutyl(3-hydroxypropyl)amino]-1-(2-fluorophenyl)-2-methylpropan-1-ol
CID 102871115
4-amino-N'-hydroxy-2-phenylbutanimidamide
CID 141138558
3-[cyclopentyl(ethyl)amino]-2-phenylpropanoic acid
CID 63067063

Frequently Asked Questions

What is the IUPAC name of 3-[cyclobutyl(3-hydroxypropyl)amino]-N'-hydroxy-2-phenylpropanimidamide?
The IUPAC name of 3-[cyclobutyl(3-hydroxypropyl)amino]-N'-hydroxy-2-phenylpropanimidamide (CID 102862953) is 3-[cyclobutyl(3-hydroxypropyl)amino]-N'-hydroxy-2-phenylpropanimidamide.
What is the SMILES notation for 3-[cyclobutyl(3-hydroxypropyl)amino]-N'-hydroxy-2-phenylpropanimidamide?
The canonical SMILES for 3-[cyclobutyl(3-hydroxypropyl)amino]-N'-hydroxy-2-phenylpropanimidamide is N/C(=N/O)C(CN(CCCO)C1CCC1)c1ccccc1.
What is the InChIKey of 3-[cyclobutyl(3-hydroxypropyl)amino]-N'-hydroxy-2-phenylpropanimidamide?
The InChIKey is QVXILMCFKSFJNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c17-16(18-21)15(13-6-2-1-3-7-13)12-19(10-5-11-20)14-8-4-9-14/h1-3,6-7,14-15,20-21H,4-5,8-12H2,(H2,17,18).
What are the key properties of 3-[cyclobutyl(3-hydroxypropyl)amino]-N'-hydroxy-2-phenylpropanimidamide?
3-[cyclobutyl(3-hydroxypropyl)amino]-N'-hydroxy-2-phenylpropanimidamide has a molecular weight of 291.39 g/mol, XLogP of 1.75, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclobutyl(3-hydroxypropyl)amino]-N'-hydroxy-2-phenylpropanimidamide is sourced from PubChem (CID 102862953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).