N-benzyl-N-ethyl-N'-hydroxy-4-methoxybenzenecarboximidamide

C17H20N2O2 — CID 6181573

IUPACN-benzyl-N-ethyl-N'-hydroxy-4-methoxybenzenecarboximidamide
SMILESCCN(Cc1ccccc1)/C(=N\O)c1ccc(OC)cc1
InChIInChI=1S/C17H20N2O2/c1-3-19(13-14-7-5-4-6-8-14)17(18-20)15-9-11-16(21-2)12-10-15/h4-12,20H,3,13H2,1-2H3/b18-17-
InChIKeyGXOCOUPKAZKNKI-ZCXUNETKSA-N
MW284.36 g/mol
LogP3.35
Rot. Bonds5

About N-benzyl-N-ethyl-N'-hydroxy-4-methoxybenzenecarboximidamide

N-benzyl-N-ethyl-N'-hydroxy-4-methoxybenzenecarboximidamide (PubChem CID 6181573) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is N-benzyl-N-ethyl-N'-hydroxy-4-methoxybenzenecarboximidamide.

Molecular Properties

Compound NameN-benzyl-N-ethyl-N'-hydroxy-4-methoxybenzenecarboximidamide
PubChem CID6181573
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC NameN-benzyl-N-ethyl-N'-hydroxy-4-methoxybenzenecarboximidamide
SMILESCCN(Cc1ccccc1)/C(=N\O)c1ccc(OC)cc1
InChIInChI=1S/C17H20N2O2/c1-3-19(13-14-7-5-4-6-8-14)17(18-20)15-9-11-16(21-2)12-10-15/h4-12,20H,3,13H2,1-2H3/b18-17-
InChIKeyGXOCOUPKAZKNKI-ZCXUNETKSA-N
XLogP3.35
TPSA45.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

(NE)-N-[1-(4-methoxyphenyl)-2-phenylethylidene]hydroxylamine
CID 10060245
N-benzyl-N-(2-bromoethyl)-4-methoxybenzamide
CID 80656055
N-benzyl-N-ethyl-2-[(4-methoxybenzoyl)amino]-1,3-thiazole-4-carboxamide
CID 84556290
benzyl-[(4-methoxyphenyl)methyl]carbamodithioic acid
CID 122204874
1-ethyl-1-[(4-methoxyphenyl)methyl]-3-(2-phenylethyl)urea
CID 71889703
ethyl (E)-3-(dibenzylamino)-3-(4-methoxyphenyl)prop-2-enoate
CID 166069435
N,N'-dibenzyl-N,N'-diethyloxamide
CID 3417048
1-benzyl-3-ethyl-1-[(4-methoxyphenyl)methyl]thiourea
CID 17385327
N-benzyl-N-ethyl-6-methoxy-1H-indole-3-carboxamide
CID 113206541
N-[4-[benzyl(ethyl)amino]phenyl]-4-methoxybenzamide
CID 112982849
copper N'-[[2-[[diethylamino(sulfido)methylidene]hydrazinylidene]-1-(4-methoxyphenyl)-2-phenylethylidene]amino]-N,N-diethylcarbamimidothioate
CID 159717011
N-benzyl-N-ethyl-2-[2-(4-methoxyphenoxy)ethylamino]acetamide
CID 108998980

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-N'-hydroxy-4-methoxybenzenecarboximidamide?
The IUPAC name of N-benzyl-N-ethyl-N'-hydroxy-4-methoxybenzenecarboximidamide (CID 6181573) is N-benzyl-N-ethyl-N'-hydroxy-4-methoxybenzenecarboximidamide.
What is the SMILES notation for N-benzyl-N-ethyl-N'-hydroxy-4-methoxybenzenecarboximidamide?
The canonical SMILES for N-benzyl-N-ethyl-N'-hydroxy-4-methoxybenzenecarboximidamide is CCN(Cc1ccccc1)/C(=N\O)c1ccc(OC)cc1.
What is the InChIKey of N-benzyl-N-ethyl-N'-hydroxy-4-methoxybenzenecarboximidamide?
The InChIKey is GXOCOUPKAZKNKI-ZCXUNETKSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-3-19(13-14-7-5-4-6-8-14)17(18-20)15-9-11-16(21-2)12-10-15/h4-12,20H,3,13H2,1-2H3/b18-17-.
What are the key properties of N-benzyl-N-ethyl-N'-hydroxy-4-methoxybenzenecarboximidamide?
N-benzyl-N-ethyl-N'-hydroxy-4-methoxybenzenecarboximidamide has a molecular weight of 284.36 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-N'-hydroxy-4-methoxybenzenecarboximidamide is sourced from PubChem (CID 6181573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).