2-(2-amino-3-methylphenoxy)-N-butan-2-ylpropanamide

C14H22N2O2 — CID 43381867

IUPAC2-(2-amino-3-methylphenoxy)-N-butan-2-ylpropanamide
SMILESCCC(C)NC(=O)C(C)Oc1cccc(C)c1N
InChIInChI=1S/C14H22N2O2/c1-5-10(3)16-14(17)11(4)18-12-8-6-7-9(2)13(12)15/h6-8,10-11H,5,15H2,1-4H3,(H,16,17)
InChIKeyWICRPTRSIMWXHE-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.26
Rot. Bonds5

About 2-(2-amino-3-methylphenoxy)-N-butan-2-ylpropanamide

2-(2-amino-3-methylphenoxy)-N-butan-2-ylpropanamide (PubChem CID 43381867) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-(2-amino-3-methylphenoxy)-N-butan-2-ylpropanamide.

Molecular Properties

Compound Name2-(2-amino-3-methylphenoxy)-N-butan-2-ylpropanamide
PubChem CID43381867
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name2-(2-amino-3-methylphenoxy)-N-butan-2-ylpropanamide
SMILESCCC(C)NC(=O)C(C)Oc1cccc(C)c1N
InChIInChI=1S/C14H22N2O2/c1-5-10(3)16-14(17)11(4)18-12-8-6-7-9(2)13(12)15/h6-8,10-11H,5,15H2,1-4H3,(H,16,17)
InChIKeyWICRPTRSIMWXHE-UHFFFAOYSA-N
XLogP2.26
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.26
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-3-methylphenoxy)-N-(ethylcarbamoyl)propanamide
CID 43438016
(2S)-N-[(2S)-butan-2-yl]-2-(2-ethylphenoxy)propanamide
CID 92676181
(2R)-N-[(2R)-butan-2-yl]-2-(2-methoxyphenoxy)propanamide
CID 9179566
2-(2-bromophenoxy)-N-butan-2-ylpropanamide
CID 43117128
(2S)-N-[(2S)-butan-2-yl]-2-(2,4-dimethylphenoxy)propanamide
CID 9173478
(2R)-N-[(2S)-butan-2-yl]-2-(4-chloro-2-methylphenoxy)propanamide
CID 10516151
2-(2-amino-5-chlorophenoxy)-N-butan-2-ylpropanamide
CID 62304828
2-[2-(aminomethyl)-6-ethoxyphenoxy]-N-butan-2-ylpropanamide
CID 43174613
2-methyl-3-[1-oxo-1-(pentan-2-ylamino)propan-2-yl]oxybenzoic acid
CID 82810097
3-amino-2-[1-(butan-2-ylamino)-1-oxopropan-2-yl]oxybenzamide
CID 107873513
2-[2-[(1R)-1-aminoethyl]-4-methylphenoxy]-N-butan-2-ylpropanamide
CID 78936570
N-butan-2-yl-2-(4-methylphenoxy)propanamide
CID 42909893

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-3-methylphenoxy)-N-butan-2-ylpropanamide?
The IUPAC name of 2-(2-amino-3-methylphenoxy)-N-butan-2-ylpropanamide (CID 43381867) is 2-(2-amino-3-methylphenoxy)-N-butan-2-ylpropanamide.
What is the SMILES notation for 2-(2-amino-3-methylphenoxy)-N-butan-2-ylpropanamide?
The canonical SMILES for 2-(2-amino-3-methylphenoxy)-N-butan-2-ylpropanamide is CCC(C)NC(=O)C(C)Oc1cccc(C)c1N.
What is the InChIKey of 2-(2-amino-3-methylphenoxy)-N-butan-2-ylpropanamide?
The InChIKey is WICRPTRSIMWXHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-5-10(3)16-14(17)11(4)18-12-8-6-7-9(2)13(12)15/h6-8,10-11H,5,15H2,1-4H3,(H,16,17).
What are the key properties of 2-(2-amino-3-methylphenoxy)-N-butan-2-ylpropanamide?
2-(2-amino-3-methylphenoxy)-N-butan-2-ylpropanamide has a molecular weight of 250.34 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-3-methylphenoxy)-N-butan-2-ylpropanamide is sourced from PubChem (CID 43381867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).