2-(3-amino-4-methylphenoxy)-N-propan-2-ylpropanamide

C13H20N2O2 — CID 114252443

IUPAC2-(3-amino-4-methylphenoxy)-N-propan-2-ylpropanamide
SMILESCc1ccc(OC(C)C(=O)NC(C)C)cc1N
InChIInChI=1S/C13H20N2O2/c1-8(2)15-13(16)10(4)17-11-6-5-9(3)12(14)7-11/h5-8,10H,14H2,1-4H3,(H,15,16)
InChIKeyAGZVKHROWBUEHM-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.87
Rot. Bonds4

About 2-(3-amino-4-methylphenoxy)-N-propan-2-ylpropanamide

2-(3-amino-4-methylphenoxy)-N-propan-2-ylpropanamide (PubChem CID 114252443) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-(3-amino-4-methylphenoxy)-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name2-(3-amino-4-methylphenoxy)-N-propan-2-ylpropanamide
PubChem CID114252443
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name2-(3-amino-4-methylphenoxy)-N-propan-2-ylpropanamide
SMILESCc1ccc(OC(C)C(=O)NC(C)C)cc1N
InChIInChI=1S/C13H20N2O2/c1-8(2)15-13(16)10(4)17-11-6-5-9(3)12(14)7-11/h5-8,10H,14H2,1-4H3,(H,15,16)
InChIKeyAGZVKHROWBUEHM-UHFFFAOYSA-N
XLogP1.87
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-amino-5-methoxyphenoxy)-N-propan-2-ylpropanamide
CID 102702350
2-(3,4-dichlorophenoxy)-N-propan-2-ylpropanamide
CID 47109802
(2R)-2-(4-fluorophenoxy)-N-propan-2-ylpropanamide
CID 94335659
2-(4-tert-butylphenoxy)-N-propan-2-ylpropanamide
CID 16620513
2-(6-bromonaphthalen-2-yl)oxy-N-propan-2-ylpropanamide
CID 60517133
(2R)-2-(3,4-dimethylphenoxy)-N-[(1S)-1-(3,4-dimethylphenyl)ethyl]propanamide
CID 94843433
2-[4-[1-(methylamino)ethyl]phenoxy]-N-propan-2-ylpropanamide
CID 43279209
(2R)-2-(4-benzoylphenoxy)-N-propan-2-ylpropanamide
CID 40747363
4-[1-oxo-1-(propan-2-ylamino)propan-2-yl]oxybenzenesulfonyl chloride
CID 82915898
(2R)-2-(3,4-dimethylphenoxy)-N-[(2S)-1-methoxypropan-2-yl]propanamide
CID 9182040
2-[2-(3,4-difluorophenoxy)propanoylamino]propanoic acid
CID 119225124
(3-amino-4-methylphenyl) acetate
CID 66838768

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-4-methylphenoxy)-N-propan-2-ylpropanamide?
The IUPAC name of 2-(3-amino-4-methylphenoxy)-N-propan-2-ylpropanamide (CID 114252443) is 2-(3-amino-4-methylphenoxy)-N-propan-2-ylpropanamide.
What is the SMILES notation for 2-(3-amino-4-methylphenoxy)-N-propan-2-ylpropanamide?
The canonical SMILES for 2-(3-amino-4-methylphenoxy)-N-propan-2-ylpropanamide is Cc1ccc(OC(C)C(=O)NC(C)C)cc1N.
What is the InChIKey of 2-(3-amino-4-methylphenoxy)-N-propan-2-ylpropanamide?
The InChIKey is AGZVKHROWBUEHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-8(2)15-13(16)10(4)17-11-6-5-9(3)12(14)7-11/h5-8,10H,14H2,1-4H3,(H,15,16).
What are the key properties of 2-(3-amino-4-methylphenoxy)-N-propan-2-ylpropanamide?
2-(3-amino-4-methylphenoxy)-N-propan-2-ylpropanamide has a molecular weight of 236.31 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-4-methylphenoxy)-N-propan-2-ylpropanamide is sourced from PubChem (CID 114252443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).