acetic acid;N-methoxyaniline

C9H13NO3 — CID 174899473

IUPACacetic acid;N-methoxyaniline
SMILESCC(=O)O.CONc1ccccc1
InChIInChI=1S/C7H9NO.C2H4O2/c1-9-8-7-5-3-2-4-6-7;1-2(3)4/h2-6,8H,1H3;1H3,(H,3,4)
InChIKeyOLIINRFNQKGFOT-UHFFFAOYSA-N
MW183.21 g/mol
LogP1.75
Rot. Bonds2

About acetic acid;N-methoxyaniline

acetic acid;N-methoxyaniline (PubChem CID 174899473) has the molecular formula C9H13NO3 and a molecular weight of 183.21 g/mol. Its IUPAC name is acetic acid;N-methoxyaniline.

Molecular Properties

Compound Nameacetic acid;N-methoxyaniline
PubChem CID174899473
Molecular FormulaC9H13NO3
Molecular Weight183.21 g/mol
Exact Mass183.09
IUPAC Nameacetic acid;N-methoxyaniline
SMILESCC(=O)O.CONc1ccccc1
InChIInChI=1S/C7H9NO.C2H4O2/c1-9-8-7-5-3-2-4-6-7;1-2(3)4/h2-6,8H,1H3;1H3,(H,3,4)
InChIKeyOLIINRFNQKGFOT-UHFFFAOYSA-N
XLogP1.75
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

benzene;N-methoxyaniline
CID 159505017
isocyanic acid;N-methoxyaniline
CID 172774828
4-N-methoxy-1-N-phenylbenzene-1,4-diamine
CID 23137119
N-[3-(methoxyamino)phenyl]acetamide;toluene
CID 163614095
methyl 2-anilinooxyacetate
CID 154072974
3-methoxy-2-methyl-3-phenylprop-2-enoic acid
CID 57324055
cobalt;N-phenylacetamide
CID 158689050
(E)-3-methoxy-2-methyl-1,3-diphenylprop-2-en-1-one
CID 101099005
N-methoxy-3-phenoxyaniline
CID 90688975
methyl 2-anilinooxycarbonyloxypropanoate
CID 134425332
anilino propan-2-yl carbonate
CID 167181374
methyl acetate;(sulfamoylamino)benzene
CID 174769394

Frequently Asked Questions

What is the IUPAC name of acetic acid;N-methoxyaniline?
The IUPAC name of acetic acid;N-methoxyaniline (CID 174899473) is acetic acid;N-methoxyaniline.
What is the SMILES notation for acetic acid;N-methoxyaniline?
The canonical SMILES for acetic acid;N-methoxyaniline is CC(=O)O.CONc1ccccc1.
What is the InChIKey of acetic acid;N-methoxyaniline?
The InChIKey is OLIINRFNQKGFOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO.C2H4O2/c1-9-8-7-5-3-2-4-6-7;1-2(3)4/h2-6,8H,1H3;1H3,(H,3,4).
What are the key properties of acetic acid;N-methoxyaniline?
acetic acid;N-methoxyaniline has a molecular weight of 183.21 g/mol, XLogP of 1.75, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;N-methoxyaniline is sourced from PubChem (CID 174899473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).