N'-hydroxy-3-[2-(4-methoxyphenyl)ethyl-propan-2-ylamino]propanimidamide

C15H25N3O2 — CID 77069695

IUPACN'-hydroxy-3-[2-(4-methoxyphenyl)ethyl-propan-2-ylamino]propanimidamide
SMILESCOc1ccc(CCN(CCC(N)=NO)C(C)C)cc1
InChIInChI=1S/C15H25N3O2/c1-12(2)18(11-9-15(16)17-19)10-8-13-4-6-14(20-3)7-5-13/h4-7,12,19H,8-11H2,1-3H3,(H2,16,17)
InChIKeyMPOVQBJNXTXMTB-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.08
Rot. Bonds8

About N'-hydroxy-3-[2-(4-methoxyphenyl)ethyl-propan-2-ylamino]propanimidamide

N'-hydroxy-3-[2-(4-methoxyphenyl)ethyl-propan-2-ylamino]propanimidamide (PubChem CID 77069695) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is N'-hydroxy-3-[2-(4-methoxyphenyl)ethyl-propan-2-ylamino]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[2-(4-methoxyphenyl)ethyl-propan-2-ylamino]propanimidamide
PubChem CID77069695
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC NameN'-hydroxy-3-[2-(4-methoxyphenyl)ethyl-propan-2-ylamino]propanimidamide
SMILESCOc1ccc(CCN(CCC(N)=NO)C(C)C)cc1
InChIInChI=1S/C15H25N3O2/c1-12(2)18(11-9-15(16)17-19)10-8-13-4-6-14(20-3)7-5-13/h4-7,12,19H,8-11H2,1-3H3,(H2,16,17)
InChIKeyMPOVQBJNXTXMTB-UHFFFAOYSA-N
XLogP2.08
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.08
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

N'-hydroxy-3-(4-methoxyphenyl)propanimidamide
CID 77069671
N-(2-chloroethyl)-N-[2-(4-methoxyphenyl)ethyl]propan-2-amine
CID 65445752
N'-hydroxy-3-[3-phenylpropyl(propan-2-yl)amino]propanimidamide
CID 54998197
3-[(4-ethylphenyl)methyl-propan-2-ylamino]-N'-hydroxypropanimidamide
CID 76929898
N'-hydroxy-2-[2-(4-methoxyphenoxy)ethyl-propan-2-ylamino]ethanimidamide
CID 77073414
N'-hydroxy-4-[(4-methoxyphenyl)methyl-methylamino]butanimidamide
CID 61420527
3-[2-(3-bromophenoxy)ethyl-propan-2-ylamino]-N'-hydroxypropanimidamide
CID 76911367
N'-hydroxy-3-[(4-methoxyphenyl)methoxy]butanimidamide
CID 114996616
N'-hydroxy-3-[3-(2-methoxyethoxy)propyl-propan-2-ylamino]propanimidamide
CID 103409985
N'-hydroxy-5-[(4-methoxyphenyl)methoxy]pentanimidamide
CID 54965654
3-[(3,5-difluorophenyl)methyl-propan-2-ylamino]-N'-hydroxypropanimidamide
CID 105403745
3-amino-3-hydroxyimino-N-[2-(4-methoxyphenyl)ethyl]-2-methylpropanamide
CID 76924867

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[2-(4-methoxyphenyl)ethyl-propan-2-ylamino]propanimidamide?
The IUPAC name of N'-hydroxy-3-[2-(4-methoxyphenyl)ethyl-propan-2-ylamino]propanimidamide (CID 77069695) is N'-hydroxy-3-[2-(4-methoxyphenyl)ethyl-propan-2-ylamino]propanimidamide.
What is the SMILES notation for N'-hydroxy-3-[2-(4-methoxyphenyl)ethyl-propan-2-ylamino]propanimidamide?
The canonical SMILES for N'-hydroxy-3-[2-(4-methoxyphenyl)ethyl-propan-2-ylamino]propanimidamide is COc1ccc(CCN(CCC(N)=NO)C(C)C)cc1.
What is the InChIKey of N'-hydroxy-3-[2-(4-methoxyphenyl)ethyl-propan-2-ylamino]propanimidamide?
The InChIKey is MPOVQBJNXTXMTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-12(2)18(11-9-15(16)17-19)10-8-13-4-6-14(20-3)7-5-13/h4-7,12,19H,8-11H2,1-3H3,(H2,16,17).
What are the key properties of N'-hydroxy-3-[2-(4-methoxyphenyl)ethyl-propan-2-ylamino]propanimidamide?
N'-hydroxy-3-[2-(4-methoxyphenyl)ethyl-propan-2-ylamino]propanimidamide has a molecular weight of 279.38 g/mol, XLogP of 2.08, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[2-(4-methoxyphenyl)ethyl-propan-2-ylamino]propanimidamide is sourced from PubChem (CID 77069695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).