2-(3-amino-2,6-dimethylphenoxy)-N-(1-methoxypropan-2-yl)acetamide

C14H22N2O3 — CID 62018700

IUPAC2-(3-amino-2,6-dimethylphenoxy)-N-(1-methoxypropan-2-yl)acetamide
SMILESCOCC(C)NC(=O)COc1c(C)ccc(N)c1C
InChIInChI=1S/C14H22N2O3/c1-9-5-6-12(15)11(3)14(9)19-8-13(17)16-10(2)7-18-4/h5-6,10H,7-8,15H2,1-4H3,(H,16,17)
InChIKeyKZRHAEQHLCEPSR-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.42
Rot. Bonds6

About 2-(3-amino-2,6-dimethylphenoxy)-N-(1-methoxypropan-2-yl)acetamide

2-(3-amino-2,6-dimethylphenoxy)-N-(1-methoxypropan-2-yl)acetamide (PubChem CID 62018700) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-(3-amino-2,6-dimethylphenoxy)-N-(1-methoxypropan-2-yl)acetamide.

Molecular Properties

Compound Name2-(3-amino-2,6-dimethylphenoxy)-N-(1-methoxypropan-2-yl)acetamide
PubChem CID62018700
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name2-(3-amino-2,6-dimethylphenoxy)-N-(1-methoxypropan-2-yl)acetamide
SMILESCOCC(C)NC(=O)COc1c(C)ccc(N)c1C
InChIInChI=1S/C14H22N2O3/c1-9-5-6-12(15)11(3)14(9)19-8-13(17)16-10(2)7-18-4/h5-6,10H,7-8,15H2,1-4H3,(H,16,17)
InChIKeyKZRHAEQHLCEPSR-UHFFFAOYSA-N
XLogP1.42
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(3-amino-2,6-dimethylphenoxy)-N-(3-methylbutyl)acetamide
CID 62017198
2-(3-amino-2,6-dimethylphenoxy)-N-ethylacetamide
CID 62018130
2-(3-amino-2,6-dimethylphenoxy)-N-(cyanomethyl)acetamide
CID 62017573
2-(3-amino-2,6-dimethylphenoxy)-N-tert-butylacetamide
CID 62018129
2-(4-cyano-2,6-dimethylphenoxy)-N-(1-methoxypropan-2-yl)acetamide
CID 65472855
2-(3-amino-2,6-dimethylphenoxy)-N-(cyclopropylmethyl)acetamide
CID 62019069
2-(5-cyano-2-methylphenoxy)-N-(1-methoxypropan-2-yl)acetamide
CID 103760436
2-(4-amino-2,5-difluorophenoxy)-N-(1-methoxypropan-2-yl)acetamide
CID 63598301
2,4-dimethyl-3-[2-(2-methylpropoxy)ethoxy]aniline
CID 106449319
2-(4-bromophenoxy)-N-[(2R)-1-methoxypropan-2-yl]acetamide
CID 7028135
4-[2-(1-methoxypropan-2-ylamino)-2-oxoethoxy]-3-methylbenzoic acid
CID 107673588
4-amino-2-[2-(1-methoxypropan-2-ylamino)-2-oxoethoxy]benzamide
CID 106955522

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-2,6-dimethylphenoxy)-N-(1-methoxypropan-2-yl)acetamide?
The IUPAC name of 2-(3-amino-2,6-dimethylphenoxy)-N-(1-methoxypropan-2-yl)acetamide (CID 62018700) is 2-(3-amino-2,6-dimethylphenoxy)-N-(1-methoxypropan-2-yl)acetamide.
What is the SMILES notation for 2-(3-amino-2,6-dimethylphenoxy)-N-(1-methoxypropan-2-yl)acetamide?
The canonical SMILES for 2-(3-amino-2,6-dimethylphenoxy)-N-(1-methoxypropan-2-yl)acetamide is COCC(C)NC(=O)COc1c(C)ccc(N)c1C.
What is the InChIKey of 2-(3-amino-2,6-dimethylphenoxy)-N-(1-methoxypropan-2-yl)acetamide?
The InChIKey is KZRHAEQHLCEPSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-9-5-6-12(15)11(3)14(9)19-8-13(17)16-10(2)7-18-4/h5-6,10H,7-8,15H2,1-4H3,(H,16,17).
What are the key properties of 2-(3-amino-2,6-dimethylphenoxy)-N-(1-methoxypropan-2-yl)acetamide?
2-(3-amino-2,6-dimethylphenoxy)-N-(1-methoxypropan-2-yl)acetamide has a molecular weight of 266.34 g/mol, XLogP of 1.42, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-2,6-dimethylphenoxy)-N-(1-methoxypropan-2-yl)acetamide is sourced from PubChem (CID 62018700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).