2-[4-[(E)-(carbamoylhydrazinylidene)methyl]phenoxy]acetamide

C10H12N4O3 — CID 6871859

IUPAC2-[4-[(E)-(carbamoylhydrazinylidene)methyl]phenoxy]acetamide
SMILESNC(=O)COc1ccc(/C=N/NC(N)=O)cc1
InChIInChI=1S/C10H12N4O3/c11-9(15)6-17-8-3-1-7(2-4-8)5-13-14-10(12)16/h1-5H,6H2,(H2,11,15)(H3,12,14,16)/b13-5+
InChIKeyHWSAQWSQXYFKSP-WLRTZDKTSA-N
MW236.23 g/mol
LogP-0.45
Rot. Bonds5

About 2-[4-[(E)-(carbamoylhydrazinylidene)methyl]phenoxy]acetamide

2-[4-[(E)-(carbamoylhydrazinylidene)methyl]phenoxy]acetamide (PubChem CID 6871859) has the molecular formula C10H12N4O3 and a molecular weight of 236.23 g/mol. Its IUPAC name is 2-[4-[(E)-(carbamoylhydrazinylidene)methyl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[4-[(E)-(carbamoylhydrazinylidene)methyl]phenoxy]acetamide
PubChem CID6871859
Molecular FormulaC10H12N4O3
Molecular Weight236.23 g/mol
Exact Mass236.09
IUPAC Name2-[4-[(E)-(carbamoylhydrazinylidene)methyl]phenoxy]acetamide
SMILESNC(=O)COc1ccc(/C=N/NC(N)=O)cc1
InChIInChI=1S/C10H12N4O3/c11-9(15)6-17-8-3-1-7(2-4-8)5-13-14-10(12)16/h1-5H,6H2,(H2,11,15)(H3,12,14,16)/b13-5+
InChIKeyHWSAQWSQXYFKSP-WLRTZDKTSA-N
XLogP-0.45
TPSA119.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 5-0.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(E)-(4-ethoxyphenyl)methylideneamino]urea;methane
CID 18532062
N-[(E)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-4-fluorobenzamide
CID 96885337
[(Z)-(4-propoxyphenyl)methylideneamino]urea
CID 9017412
N-[(E)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-4-methoxybenzamide
CID 6874443
N'-[(E)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-N-propan-2-ylpropanediamide
CID 94863681
[(E)-(4-pentoxyphenyl)methylideneamino]urea
CID 6909458
N-[[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-4-phenylbenzamide
CID 24819612
[(E)-(4-heptoxyphenyl)methylideneamino]urea
CID 14915218
N'-[(Z)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-N-cyclohexyloxamide
CID 94863520
[[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]urea
CID 900227
[(Z)-[4-[(2,6-dichlorophenyl)methoxy]phenyl]methylideneamino]urea
CID 5416165
N-[(Z)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-3-methoxybenzamide
CID 5412030

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(E)-(carbamoylhydrazinylidene)methyl]phenoxy]acetamide?
The IUPAC name of 2-[4-[(E)-(carbamoylhydrazinylidene)methyl]phenoxy]acetamide (CID 6871859) is 2-[4-[(E)-(carbamoylhydrazinylidene)methyl]phenoxy]acetamide.
What is the SMILES notation for 2-[4-[(E)-(carbamoylhydrazinylidene)methyl]phenoxy]acetamide?
The canonical SMILES for 2-[4-[(E)-(carbamoylhydrazinylidene)methyl]phenoxy]acetamide is NC(=O)COc1ccc(/C=N/NC(N)=O)cc1.
What is the InChIKey of 2-[4-[(E)-(carbamoylhydrazinylidene)methyl]phenoxy]acetamide?
The InChIKey is HWSAQWSQXYFKSP-WLRTZDKTSA-N. The full InChI is InChI=1S/C10H12N4O3/c11-9(15)6-17-8-3-1-7(2-4-8)5-13-14-10(12)16/h1-5H,6H2,(H2,11,15)(H3,12,14,16)/b13-5+.
What are the key properties of 2-[4-[(E)-(carbamoylhydrazinylidene)methyl]phenoxy]acetamide?
2-[4-[(E)-(carbamoylhydrazinylidene)methyl]phenoxy]acetamide has a molecular weight of 236.23 g/mol, XLogP of -0.45, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(E)-(carbamoylhydrazinylidene)methyl]phenoxy]acetamide is sourced from PubChem (CID 6871859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).