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

C14H23N3O2 — CID 81055642

IUPAC3-[2-ethoxyethyl(methyl)amino]-N'-hydroxy-3-phenylpropanimidamide
SMILESCCOCCN(C)C(C/C(N)=N/O)c1ccccc1
InChIInChI=1S/C14H23N3O2/c1-3-19-10-9-17(2)13(11-14(15)16-18)12-7-5-4-6-8-12/h4-8,13,18H,3,9-11H2,1-2H3,(H2,15,16)
InChIKeyVRUOUGMUBRLSPK-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.83
Rot. Bonds8

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

3-[2-ethoxyethyl(methyl)amino]-N'-hydroxy-3-phenylpropanimidamide (PubChem CID 81055642) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 3-[2-ethoxyethyl(methyl)amino]-N'-hydroxy-3-phenylpropanimidamide.

Molecular Properties

Compound Name3-[2-ethoxyethyl(methyl)amino]-N'-hydroxy-3-phenylpropanimidamide
PubChem CID81055642
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name3-[2-ethoxyethyl(methyl)amino]-N'-hydroxy-3-phenylpropanimidamide
SMILESCCOCCN(C)C(C/C(N)=N/O)c1ccccc1
InChIInChI=1S/C14H23N3O2/c1-3-19-10-9-17(2)13(11-14(15)16-18)12-7-5-4-6-8-12/h4-8,13,18H,3,9-11H2,1-2H3,(H2,15,16)
InChIKeyVRUOUGMUBRLSPK-UHFFFAOYSA-N
XLogP1.83
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.83
H-Bond Donors ≤ 52
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'}

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Related Compounds

3-[ethyl(methyl)amino]-N'-hydroxy-3-phenylpropanimidamide
CID 76949093
N'-hydroxy-3-[methyl(2-methylbutyl)amino]-3-phenylpropanimidamide
CID 76949179
N'-hydroxy-3-[methyl(pentan-3-yl)amino]-3-phenylpropanimidamide
CID 76949064
N'-hydroxy-3-[(3-hydroxycyclobutyl)methyl-methylamino]-3-phenylpropanimidamide
CID 77104932
3-[2-ethoxyethyl(ethyl)amino]-3-phenylpropanethioamide
CID 63695799
3-[2-(2-ethoxyphenoxy)ethyl-methylamino]-N'-hydroxybutanimidamide
CID 77073448
N'-hydroxy-3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-3-phenylpropanimidamide
CID 76949048
3-[cyclohexyl(methyl)amino]-N'-hydroxy-3-phenylpropanimidamide
CID 76949207
N,N-bis(2-ethoxyethyl)-N'-methyl-1-phenylethane-1,2-diamine
CID 82940241
N'-hydroxy-3-phenyl-3-propoxypropanimidamide
CID 115001465
N'-hydroxy-3-phenoxypentanimidamide
CID 43368248
2-N-(2-ethoxyethyl)-1-N,2-N-dimethyl-1-phenylbutane-1,2-diamine
CID 81058735

Frequently Asked Questions

What is the IUPAC name of 3-[2-ethoxyethyl(methyl)amino]-N'-hydroxy-3-phenylpropanimidamide?
The IUPAC name of 3-[2-ethoxyethyl(methyl)amino]-N'-hydroxy-3-phenylpropanimidamide (CID 81055642) is 3-[2-ethoxyethyl(methyl)amino]-N'-hydroxy-3-phenylpropanimidamide.
What is the SMILES notation for 3-[2-ethoxyethyl(methyl)amino]-N'-hydroxy-3-phenylpropanimidamide?
The canonical SMILES for 3-[2-ethoxyethyl(methyl)amino]-N'-hydroxy-3-phenylpropanimidamide is CCOCCN(C)C(C/C(N)=N/O)c1ccccc1.
What is the InChIKey of 3-[2-ethoxyethyl(methyl)amino]-N'-hydroxy-3-phenylpropanimidamide?
The InChIKey is VRUOUGMUBRLSPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-3-19-10-9-17(2)13(11-14(15)16-18)12-7-5-4-6-8-12/h4-8,13,18H,3,9-11H2,1-2H3,(H2,15,16).
What are the key properties of 3-[2-ethoxyethyl(methyl)amino]-N'-hydroxy-3-phenylpropanimidamide?
3-[2-ethoxyethyl(methyl)amino]-N'-hydroxy-3-phenylpropanimidamide has a molecular weight of 265.36 g/mol, XLogP of 1.83, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-ethoxyethyl(methyl)amino]-N'-hydroxy-3-phenylpropanimidamide is sourced from PubChem (CID 81055642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).