2-[2-(1-methoxypropan-2-ylamino)phenyl]-N-methylacetamide

C13H20N2O2 — CID 55086327

IUPAC2-[2-(1-methoxypropan-2-ylamino)phenyl]-N-methylacetamide
SMILESCNC(=O)Cc1ccccc1NC(C)COC
InChIInChI=1S/C13H20N2O2/c1-10(9-17-3)15-12-7-5-4-6-11(12)8-13(16)14-2/h4-7,10,15H,8-9H2,1-3H3,(H,14,16)
InChIKeyGHDXSSXQHNMQGO-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.42
Rot. Bonds6

About 2-[2-(1-methoxypropan-2-ylamino)phenyl]-N-methylacetamide

2-[2-(1-methoxypropan-2-ylamino)phenyl]-N-methylacetamide (PubChem CID 55086327) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-[2-(1-methoxypropan-2-ylamino)phenyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[2-(1-methoxypropan-2-ylamino)phenyl]-N-methylacetamide
PubChem CID55086327
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name2-[2-(1-methoxypropan-2-ylamino)phenyl]-N-methylacetamide
SMILESCNC(=O)Cc1ccccc1NC(C)COC
InChIInChI=1S/C13H20N2O2/c1-10(9-17-3)15-12-7-5-4-6-11(12)8-13(16)14-2/h4-7,10,15H,8-9H2,1-3H3,(H,14,16)
InChIKeyGHDXSSXQHNMQGO-UHFFFAOYSA-N
XLogP1.42
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-[2-(3-methylbutan-2-ylamino)phenyl]acetamide
CID 43692244
N-methyl-2-[2-[1-(1-methylcyclopropyl)ethylamino]phenyl]acetamide
CID 43692229
N-methyl-2-[2-[1-(2-methylphenyl)ethylamino]phenyl]acetamide
CID 43692245
2-[2-[1-(4-iodophenyl)ethylamino]phenyl]-N-methylacetamide
CID 43782874
N-methyl-2-[2-(5-methylheptan-3-ylamino)phenyl]acetamide
CID 43692234
3-ethyl-N-(1-methoxypropan-2-yl)-2-methylaniline
CID 90001609
2-(1-methoxypropan-2-ylamino)benzenesulfonamide
CID 43454220
2-chloro-N-(1-methoxypropan-2-yl)aniline
CID 62535626
3-amino-2-methyl-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]propanamide
CID 55105612
tert-butyl 2-[[(2S)-1-methoxypropan-2-yl]amino]benzoate
CID 150504072
N-methyl-2-[2-[1-(1,3-thiazol-4-yl)ethylamino]phenyl]acetamide
CID 115928894
2-[(2-hydroxyphenyl)methylamino]-N-(1-methoxypropan-2-yl)acetamide
CID 114332045

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-methoxypropan-2-ylamino)phenyl]-N-methylacetamide?
The IUPAC name of 2-[2-(1-methoxypropan-2-ylamino)phenyl]-N-methylacetamide (CID 55086327) is 2-[2-(1-methoxypropan-2-ylamino)phenyl]-N-methylacetamide.
What is the SMILES notation for 2-[2-(1-methoxypropan-2-ylamino)phenyl]-N-methylacetamide?
The canonical SMILES for 2-[2-(1-methoxypropan-2-ylamino)phenyl]-N-methylacetamide is CNC(=O)Cc1ccccc1NC(C)COC.
What is the InChIKey of 2-[2-(1-methoxypropan-2-ylamino)phenyl]-N-methylacetamide?
The InChIKey is GHDXSSXQHNMQGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-10(9-17-3)15-12-7-5-4-6-11(12)8-13(16)14-2/h4-7,10,15H,8-9H2,1-3H3,(H,14,16).
What are the key properties of 2-[2-(1-methoxypropan-2-ylamino)phenyl]-N-methylacetamide?
2-[2-(1-methoxypropan-2-ylamino)phenyl]-N-methylacetamide has a molecular weight of 236.31 g/mol, XLogP of 1.42, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-methoxypropan-2-ylamino)phenyl]-N-methylacetamide is sourced from PubChem (CID 55086327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).