2-[4-(aminomethyl)phenyl]-2-hydroxyimino-N-methylacetamide

C10H13N3O2 — CID 174660188

IUPAC2-[4-(aminomethyl)phenyl]-2-hydroxyimino-N-methylacetamide
SMILESCNC(=O)C(=NO)c1ccc(CN)cc1
InChIInChI=1S/C10H13N3O2/c1-12-10(14)9(13-15)8-4-2-7(6-11)3-5-8/h2-5,15H,6,11H2,1H3,(H,12,14)
InChIKeyQTGJKNXGTBPWMQ-UHFFFAOYSA-N
MW207.23 g/mol
LogP0.07
Rot. Bonds3

About 2-[4-(aminomethyl)phenyl]-2-hydroxyimino-N-methylacetamide

2-[4-(aminomethyl)phenyl]-2-hydroxyimino-N-methylacetamide (PubChem CID 174660188) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is 2-[4-(aminomethyl)phenyl]-2-hydroxyimino-N-methylacetamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)phenyl]-2-hydroxyimino-N-methylacetamide
PubChem CID174660188
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name2-[4-(aminomethyl)phenyl]-2-hydroxyimino-N-methylacetamide
SMILESCNC(=O)C(=NO)c1ccc(CN)cc1
InChIInChI=1S/C10H13N3O2/c1-12-10(14)9(13-15)8-4-2-7(6-11)3-5-8/h2-5,15H,6,11H2,1H3,(H,12,14)
InChIKeyQTGJKNXGTBPWMQ-UHFFFAOYSA-N
XLogP0.07
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 50.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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

2-[4-(aminomethyl)phenyl]-N-methylacetamide
CID 23301882
4-(aminomethyl)-N,N'-dimethylbenzenecarboximidamide;ethane
CID 91450570
2-[4-(2-aminoethyl)phenyl]-2-hydroxyiminoacetic acid
CID 173122187
[4-(aminomethyl)phenyl]methanamine;benzene-1,4-dicarboxamide
CID 68644964
4-(aminomethyl)-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide
CID 61464238
methyl 4-(aminomethyl)benzoate;molecular hydrogen
CID 143345470
4-(aminomethyl)-N-(propan-2-ylideneamino)benzamide
CID 118474736
4-(aminomethyl)benzenecarbothioic S-acid
CID 86120927
4-[2-[4-(aminomethyl)phenyl]ethyl]-N,N'-dimethylbenzenecarboximidamide;dihydrobromide
CID 23315182
4-(aminomethyl)-N-(3-ethylpentan-3-yl)benzamide;hydrochloride
CID 119334920
3-[[2-[4-(aminomethyl)phenyl]-2-hydroxyiminoacetyl]amino]-2-hydroxy-3,4-dihydro-1,2-benzoxaborinine-8-carboxylic acid
CID 75299236
4-(aminomethyl)-N-cyanobenzamide
CID 79195247

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)phenyl]-2-hydroxyimino-N-methylacetamide?
The IUPAC name of 2-[4-(aminomethyl)phenyl]-2-hydroxyimino-N-methylacetamide (CID 174660188) is 2-[4-(aminomethyl)phenyl]-2-hydroxyimino-N-methylacetamide.
What is the SMILES notation for 2-[4-(aminomethyl)phenyl]-2-hydroxyimino-N-methylacetamide?
The canonical SMILES for 2-[4-(aminomethyl)phenyl]-2-hydroxyimino-N-methylacetamide is CNC(=O)C(=NO)c1ccc(CN)cc1.
What is the InChIKey of 2-[4-(aminomethyl)phenyl]-2-hydroxyimino-N-methylacetamide?
The InChIKey is QTGJKNXGTBPWMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c1-12-10(14)9(13-15)8-4-2-7(6-11)3-5-8/h2-5,15H,6,11H2,1H3,(H,12,14).
What are the key properties of 2-[4-(aminomethyl)phenyl]-2-hydroxyimino-N-methylacetamide?
2-[4-(aminomethyl)phenyl]-2-hydroxyimino-N-methylacetamide has a molecular weight of 207.23 g/mol, XLogP of 0.07, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)phenyl]-2-hydroxyimino-N-methylacetamide is sourced from PubChem (CID 174660188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).