2-[4-(1-hydroxyethyl)-N-methylanilino]-N-methylacetamide

C12H18N2O2 — CID 43506218

IUPAC2-[4-(1-hydroxyethyl)-N-methylanilino]-N-methylacetamide
SMILESCNC(=O)CN(C)c1ccc(C(C)O)cc1
InChIInChI=1S/C12H18N2O2/c1-9(15)10-4-6-11(7-5-10)14(3)8-12(16)13-2/h4-7,9,15H,8H2,1-3H3,(H,13,16)
InChIKeyMXEJCOWOGLECDR-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.92
Rot. Bonds4

About 2-[4-(1-hydroxyethyl)-N-methylanilino]-N-methylacetamide

2-[4-(1-hydroxyethyl)-N-methylanilino]-N-methylacetamide (PubChem CID 43506218) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-[4-(1-hydroxyethyl)-N-methylanilino]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-(1-hydroxyethyl)-N-methylanilino]-N-methylacetamide
PubChem CID43506218
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name2-[4-(1-hydroxyethyl)-N-methylanilino]-N-methylacetamide
SMILESCNC(=O)CN(C)c1ccc(C(C)O)cc1
InChIInChI=1S/C12H18N2O2/c1-9(15)10-4-6-11(7-5-10)14(3)8-12(16)13-2/h4-7,9,15H,8H2,1-3H3,(H,13,16)
InChIKeyMXEJCOWOGLECDR-UHFFFAOYSA-N
XLogP0.92
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

2-(4-tert-butyl-N-methylanilino)-N-methylacetamide
CID 60562398
methyl 2-(N-methyl-4-propan-2-ylanilino)acetate
CID 115232732
2-(N-methyl-4-propan-2-ylanilino)acetic acid
CID 82113002
2-[2-fluoro-6-(1-hydroxyethyl)-N-methylanilino]-N-methylacetamide
CID 114059093
1-[4-[butyl(methyl)amino]phenyl]ethanol
CID 43505960
2-[[6-(aminomethyl)-3-pyridinyl]-methylamino]-N-methylacetamide
CID 115486849
5-[methyl-[2-(methylamino)-2-oxoethyl]amino]pyridine-2-carboxylic acid
CID 104638770
2-[N-ethyl-2-fluoro-4-[(1S)-1-hydroxyethyl]anilino]-N-methylacetamide
CID 78940251
3-[2-bromo-4-[(1R)-1-hydroxyethyl]-N-methylanilino]-N-methylpropanamide
CID 106916319
2-[2-bromo-N-ethyl-4-[(1R)-1-hydroxyethyl]anilino]-N-methylacetamide
CID 78940265
2-[2-chloro-N-ethyl-4-[(1S)-1-hydroxyethyl]anilino]-N-methylacetamide
CID 78940268
2-(4-acetyl-3-amino-N-methylanilino)-N-methylacetamide
CID 104528378

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-hydroxyethyl)-N-methylanilino]-N-methylacetamide?
The IUPAC name of 2-[4-(1-hydroxyethyl)-N-methylanilino]-N-methylacetamide (CID 43506218) is 2-[4-(1-hydroxyethyl)-N-methylanilino]-N-methylacetamide.
What is the SMILES notation for 2-[4-(1-hydroxyethyl)-N-methylanilino]-N-methylacetamide?
The canonical SMILES for 2-[4-(1-hydroxyethyl)-N-methylanilino]-N-methylacetamide is CNC(=O)CN(C)c1ccc(C(C)O)cc1.
What is the InChIKey of 2-[4-(1-hydroxyethyl)-N-methylanilino]-N-methylacetamide?
The InChIKey is MXEJCOWOGLECDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-9(15)10-4-6-11(7-5-10)14(3)8-12(16)13-2/h4-7,9,15H,8H2,1-3H3,(H,13,16).
What are the key properties of 2-[4-(1-hydroxyethyl)-N-methylanilino]-N-methylacetamide?
2-[4-(1-hydroxyethyl)-N-methylanilino]-N-methylacetamide has a molecular weight of 222.29 g/mol, XLogP of 0.92, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-hydroxyethyl)-N-methylanilino]-N-methylacetamide is sourced from PubChem (CID 43506218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).