N-[4-[3-(methoxyamino)propyl]phenyl]acetamide

C12H18N2O2 — CID 86619588

IUPACN-[4-[3-(methoxyamino)propyl]phenyl]acetamide
SMILESCONCCCc1ccc(NC(C)=O)cc1
InChIInChI=1S/C12H18N2O2/c1-10(15)14-12-7-5-11(6-8-12)4-3-9-13-16-2/h5-8,13H,3-4,9H2,1-2H3,(H,14,15)
InChIKeyIDOQUKORIJTFHZ-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.73
Rot. Bonds6

About N-[4-[3-(methoxyamino)propyl]phenyl]acetamide

N-[4-[3-(methoxyamino)propyl]phenyl]acetamide (PubChem CID 86619588) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is N-[4-[3-(methoxyamino)propyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[3-(methoxyamino)propyl]phenyl]acetamide
PubChem CID86619588
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC NameN-[4-[3-(methoxyamino)propyl]phenyl]acetamide
SMILESCONCCCc1ccc(NC(C)=O)cc1
InChIInChI=1S/C12H18N2O2/c1-10(15)14-12-7-5-11(6-8-12)4-3-9-13-16-2/h5-8,13H,3-4,9H2,1-2H3,(H,14,15)
InChIKeyIDOQUKORIJTFHZ-UHFFFAOYSA-N
XLogP1.73
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(4-acetamidophenyl)pentanoic acid
CID 82255364
N-[4-(2-hydroxyethyl)phenyl]acetamide
CID 3295905
methyl 2-[2-(4-acetamidophenyl)ethylamino]acetate
CID 165487144
2-(4-acetamidophenyl)-N-(3-phenylpropyl)acetamide
CID 27647223
3-[4-(4-acetamidophenyl)butanoylamino]propanoic acid
CID 82224433
N-(4-acetamidophenyl)-2-(3-phenylpropylamino)acetamide
CID 109005083
N-[4-[4-(4-methoxyphenyl)butylsulfamoyl]phenyl]acetamide
CID 110288838
2-(4-acetamidophenoxy)-N-(3-phenylpropyl)acetamide
CID 2439696
N-[4-[2-(4-fluorophenyl)ethylamino]phenyl]acetamide
CID 112983436
N-[2-(4-acetamidophenyl)ethyl]-2-amino-3-methoxypropanamide
CID 120989107
7-[4-[(4-acetamidophenyl)methyl]phenyl]heptanoic acid
CID 15667466
N-[4-(2-methylprop-2-enyl)phenyl]acetamide
CID 89105480

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(methoxyamino)propyl]phenyl]acetamide?
The IUPAC name of N-[4-[3-(methoxyamino)propyl]phenyl]acetamide (CID 86619588) is N-[4-[3-(methoxyamino)propyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[3-(methoxyamino)propyl]phenyl]acetamide?
The canonical SMILES for N-[4-[3-(methoxyamino)propyl]phenyl]acetamide is CONCCCc1ccc(NC(C)=O)cc1.
What is the InChIKey of N-[4-[3-(methoxyamino)propyl]phenyl]acetamide?
The InChIKey is IDOQUKORIJTFHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-10(15)14-12-7-5-11(6-8-12)4-3-9-13-16-2/h5-8,13H,3-4,9H2,1-2H3,(H,14,15).
What are the key properties of N-[4-[3-(methoxyamino)propyl]phenyl]acetamide?
N-[4-[3-(methoxyamino)propyl]phenyl]acetamide has a molecular weight of 222.29 g/mol, XLogP of 1.73, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(methoxyamino)propyl]phenyl]acetamide is sourced from PubChem (CID 86619588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).