methyl N'-hydroxy-N-(4-methoxybenzoyl)carbamimidate

C10H12N2O4 — CID 135474620

IUPACmethyl N'-hydroxy-N-(4-methoxybenzoyl)carbamimidate
SMILESCO/C(=N/O)NC(=O)c1ccc(OC)cc1
InChIInChI=1S/C10H12N2O4/c1-15-8-5-3-7(4-6-8)9(13)11-10(12-14)16-2/h3-6,14H,1-2H3,(H,11,12,13)
InChIKeyILRCAILKIYQQJM-UHFFFAOYSA-N
MW224.22 g/mol
LogP0.82
Rot. Bonds2

About methyl N'-hydroxy-N-(4-methoxybenzoyl)carbamimidate

methyl N'-hydroxy-N-(4-methoxybenzoyl)carbamimidate (PubChem CID 135474620) has the molecular formula C10H12N2O4 and a molecular weight of 224.22 g/mol. Its IUPAC name is methyl N'-hydroxy-N-(4-methoxybenzoyl)carbamimidate.

Molecular Properties

Compound Namemethyl N'-hydroxy-N-(4-methoxybenzoyl)carbamimidate
PubChem CID135474620
Molecular FormulaC10H12N2O4
Molecular Weight224.22 g/mol
Exact Mass224.08
IUPAC Namemethyl N'-hydroxy-N-(4-methoxybenzoyl)carbamimidate
SMILESCO/C(=N/O)NC(=O)c1ccc(OC)cc1
InChIInChI=1S/C10H12N2O4/c1-15-8-5-3-7(4-6-8)9(13)11-10(12-14)16-2/h3-6,14H,1-2H3,(H,11,12,13)
InChIKeyILRCAILKIYQQJM-UHFFFAOYSA-N
XLogP0.82
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

methyl N'-hydroxy-N-(4-methoxybenzoyl)carbamimidate
CID 135591078
methyl N-(4-methoxybenzoyl)carbamate
CID 10420604
N-carbamothioyl-4-methoxybenzamide
CID 14007083
tert-butyl N-(4-methoxybenzoyl)carbamate
CID 14221825
S-methyl N-[(4-methoxybenzoyl)carbamoyl]carbamothioate
CID 585400
propan-2-yl N'-[2-(dimethylamino)ethyl]-N-(4-methoxybenzoyl)carbamimidate
CID 7482397
N-formyl-4-methoxybenzamide
CID 10856056
methyl N'-carbamoyl-N-(4-methoxybenzoyl)carbamimidothioate
CID 134892189
4-methoxy-N-pentanoylbenzamide
CID 175364766
4-chloro-N-[2-(4-methoxyphenyl)-2-oxoacetyl]benzamide
CID 102136458
N-(tert-butylcarbamothioyl)-4-methoxybenzamide
CID 920636
methyl (3Z)-3-[(4-methoxybenzoyl)hydrazinylidene]butanoate
CID 23268418

Frequently Asked Questions

What is the IUPAC name of methyl N'-hydroxy-N-(4-methoxybenzoyl)carbamimidate?
The IUPAC name of methyl N'-hydroxy-N-(4-methoxybenzoyl)carbamimidate (CID 135474620) is methyl N'-hydroxy-N-(4-methoxybenzoyl)carbamimidate.
What is the SMILES notation for methyl N'-hydroxy-N-(4-methoxybenzoyl)carbamimidate?
The canonical SMILES for methyl N'-hydroxy-N-(4-methoxybenzoyl)carbamimidate is CO/C(=N/O)NC(=O)c1ccc(OC)cc1.
What is the InChIKey of methyl N'-hydroxy-N-(4-methoxybenzoyl)carbamimidate?
The InChIKey is ILRCAILKIYQQJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O4/c1-15-8-5-3-7(4-6-8)9(13)11-10(12-14)16-2/h3-6,14H,1-2H3,(H,11,12,13).
What are the key properties of methyl N'-hydroxy-N-(4-methoxybenzoyl)carbamimidate?
methyl N'-hydroxy-N-(4-methoxybenzoyl)carbamimidate has a molecular weight of 224.22 g/mol, XLogP of 0.82, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N'-hydroxy-N-(4-methoxybenzoyl)carbamimidate is sourced from PubChem (CID 135474620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).