ethane;N-ethyl-2-(hydroxyamino)-2-(3-methylphenyl)acetamide

C13H22N2O2 — CID 153404645

IUPACethane;N-ethyl-2-(hydroxyamino)-2-(3-methylphenyl)acetamide
SMILESCC.CCNC(=O)C(NO)c1cccc(C)c1
InChIInChI=1S/C11H16N2O2.C2H6/c1-3-12-11(14)10(13-15)9-6-4-5-8(2)7-9;1-2/h4-7,10,13,15H,3H2,1-2H3,(H,12,14);1-2H3
InChIKeyPOQBPYWIVIOFGH-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.18
Rot. Bonds4

About ethane;N-ethyl-2-(hydroxyamino)-2-(3-methylphenyl)acetamide

ethane;N-ethyl-2-(hydroxyamino)-2-(3-methylphenyl)acetamide (PubChem CID 153404645) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is ethane;N-ethyl-2-(hydroxyamino)-2-(3-methylphenyl)acetamide.

Molecular Properties

Compound Nameethane;N-ethyl-2-(hydroxyamino)-2-(3-methylphenyl)acetamide
PubChem CID153404645
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Nameethane;N-ethyl-2-(hydroxyamino)-2-(3-methylphenyl)acetamide
SMILESCC.CCNC(=O)C(NO)c1cccc(C)c1
InChIInChI=1S/C11H16N2O2.C2H6/c1-3-12-11(14)10(13-15)9-6-4-5-8(2)7-9;1-2/h4-7,10,13,15H,3H2,1-2H3,(H,12,14);1-2H3
InChIKeyPOQBPYWIVIOFGH-UHFFFAOYSA-N
XLogP2.18
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethane;N-ethyl-2-(hydroxyamino)-2-(3-methylphenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-2-[[(1S)-1-(3-methylphenyl)ethyl]amino]propanamide
CID 81361243
1,1-bis(3-methylphenyl)propan-2-one;ethane
CID 145153760
1,5-dibromo-2,4-bis(3-methylphenyl)pentan-3-one
CID 151406599
2-amino-N-ethyl-2-phenylacetamide
CID 22262703
2-[3-(diethylamino)propylamino]-2-(3-methylphenyl)acetic acid
CID 84750225
1-(3-methylphenyl)-1-propoxypropan-2-one
CID 83225723
ethane;N-ethyl-3-methylbenzamide;1-fluoro-3-methylbenzene
CID 142892736
dimethyl 2-(3-methylphenyl)propanedioate;ethane
CID 170957140
4-hydroxy-4-(3-methylphenyl)butan-2-one
CID 14268468
2-(3-methylphenyl)-2-(prop-2-ynylamino)acetic acid
CID 62352736
2-amino-2-(3-methylphenyl)-N-propan-2-ylacetamide
CID 83532850
4-(methylamino)-4-(3-methylphenyl)butan-2-one
CID 116956083

Frequently Asked Questions

What is the IUPAC name of ethane;N-ethyl-2-(hydroxyamino)-2-(3-methylphenyl)acetamide?
The IUPAC name of ethane;N-ethyl-2-(hydroxyamino)-2-(3-methylphenyl)acetamide (CID 153404645) is ethane;N-ethyl-2-(hydroxyamino)-2-(3-methylphenyl)acetamide.
What is the SMILES notation for ethane;N-ethyl-2-(hydroxyamino)-2-(3-methylphenyl)acetamide?
The canonical SMILES for ethane;N-ethyl-2-(hydroxyamino)-2-(3-methylphenyl)acetamide is CC.CCNC(=O)C(NO)c1cccc(C)c1.
What is the InChIKey of ethane;N-ethyl-2-(hydroxyamino)-2-(3-methylphenyl)acetamide?
The InChIKey is POQBPYWIVIOFGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2.C2H6/c1-3-12-11(14)10(13-15)9-6-4-5-8(2)7-9;1-2/h4-7,10,13,15H,3H2,1-2H3,(H,12,14);1-2H3.
What are the key properties of ethane;N-ethyl-2-(hydroxyamino)-2-(3-methylphenyl)acetamide?
ethane;N-ethyl-2-(hydroxyamino)-2-(3-methylphenyl)acetamide has a molecular weight of 238.33 g/mol, XLogP of 2.18, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-ethyl-2-(hydroxyamino)-2-(3-methylphenyl)acetamide is sourced from PubChem (CID 153404645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).