2-(5-amino-2-methylphenoxy)-N-(3-methoxypropyl)propanamide

C14H22N2O3 — CID 43520147

IUPAC2-(5-amino-2-methylphenoxy)-N-(3-methoxypropyl)propanamide
SMILESCOCCCNC(=O)C(C)Oc1cc(N)ccc1C
InChIInChI=1S/C14H22N2O3/c1-10-5-6-12(15)9-13(10)19-11(2)14(17)16-7-4-8-18-3/h5-6,9,11H,4,7-8,15H2,1-3H3,(H,16,17)
InChIKeyGISFMTAKBPNFPX-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.50
Rot. Bonds7

About 2-(5-amino-2-methylphenoxy)-N-(3-methoxypropyl)propanamide

2-(5-amino-2-methylphenoxy)-N-(3-methoxypropyl)propanamide (PubChem CID 43520147) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-(5-amino-2-methylphenoxy)-N-(3-methoxypropyl)propanamide.

Molecular Properties

Compound Name2-(5-amino-2-methylphenoxy)-N-(3-methoxypropyl)propanamide
PubChem CID43520147
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name2-(5-amino-2-methylphenoxy)-N-(3-methoxypropyl)propanamide
SMILESCOCCCNC(=O)C(C)Oc1cc(N)ccc1C
InChIInChI=1S/C14H22N2O3/c1-10-5-6-12(15)9-13(10)19-11(2)14(17)16-7-4-8-18-3/h5-6,9,11H,4,7-8,15H2,1-3H3,(H,16,17)
InChIKeyGISFMTAKBPNFPX-UHFFFAOYSA-N
XLogP1.50
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-aminophenoxy)-N-(3-methoxypropyl)propanamide
CID 60747305
2-(4-bromo-2-methylphenoxy)-N-(3-methoxypropyl)propanamide
CID 55163269
2-(5-amino-2-methylphenoxy)-N-(ethylcarbamoyl)propanamide
CID 43520156
2-[2-[(1S)-1-aminoethyl]-5-methylphenoxy]-N-(3-methoxypropyl)propanamide
CID 78946961
2-[2-[(1S)-1-hydroxyethyl]-5-methylphenoxy]-N-(3-methoxypropyl)propanamide
CID 63650006
2-(4-amino-2,5-difluorophenoxy)-N-(3-methoxypropyl)propanamide
CID 63598467
2-(2,5-dimethylphenoxy)-N-[6-[2-(2,5-dimethylphenoxy)propanoylamino]hexyl]propanamide
CID 4945104
(2S)-2-(3-methoxyphenoxy)-N-(3-methoxypropyl)propanamide
CID 92673516
2-(4-chloro-3-methylphenoxy)-N-(3-methoxypropyl)propanamide
CID 53288853
2-(4-amino-2-methoxyphenyl)sulfinyl-N-(3-methoxypropyl)propanamide
CID 81200685
2-(2-bromophenoxy)-N-(3-methoxypropyl)propanamide
CID 43117125
(2S)-2-(2-chlorophenoxy)-N-(3-methoxypropyl)propanamide
CID 42561381

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-2-methylphenoxy)-N-(3-methoxypropyl)propanamide?
The IUPAC name of 2-(5-amino-2-methylphenoxy)-N-(3-methoxypropyl)propanamide (CID 43520147) is 2-(5-amino-2-methylphenoxy)-N-(3-methoxypropyl)propanamide.
What is the SMILES notation for 2-(5-amino-2-methylphenoxy)-N-(3-methoxypropyl)propanamide?
The canonical SMILES for 2-(5-amino-2-methylphenoxy)-N-(3-methoxypropyl)propanamide is COCCCNC(=O)C(C)Oc1cc(N)ccc1C.
What is the InChIKey of 2-(5-amino-2-methylphenoxy)-N-(3-methoxypropyl)propanamide?
The InChIKey is GISFMTAKBPNFPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-10-5-6-12(15)9-13(10)19-11(2)14(17)16-7-4-8-18-3/h5-6,9,11H,4,7-8,15H2,1-3H3,(H,16,17).
What are the key properties of 2-(5-amino-2-methylphenoxy)-N-(3-methoxypropyl)propanamide?
2-(5-amino-2-methylphenoxy)-N-(3-methoxypropyl)propanamide has a molecular weight of 266.34 g/mol, XLogP of 1.50, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-2-methylphenoxy)-N-(3-methoxypropyl)propanamide is sourced from PubChem (CID 43520147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).