2-(2-formyl-6-methylphenoxy)-N-(3-methoxypropyl)propanamide

C15H21NO4 — CID 115955495

IUPAC2-(2-formyl-6-methylphenoxy)-N-(3-methoxypropyl)propanamide
SMILESCOCCCNC(=O)C(C)Oc1c(C)cccc1C=O
InChIInChI=1S/C15H21NO4/c1-11-6-4-7-13(10-17)14(11)20-12(2)15(18)16-8-5-9-19-3/h4,6-7,10,12H,5,8-9H2,1-3H3,(H,16,18)
InChIKeyFBZJPWGHQFDHQV-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.73
Rot. Bonds8

About 2-(2-formyl-6-methylphenoxy)-N-(3-methoxypropyl)propanamide

2-(2-formyl-6-methylphenoxy)-N-(3-methoxypropyl)propanamide (PubChem CID 115955495) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-(2-formyl-6-methylphenoxy)-N-(3-methoxypropyl)propanamide.

Molecular Properties

Compound Name2-(2-formyl-6-methylphenoxy)-N-(3-methoxypropyl)propanamide
PubChem CID115955495
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name2-(2-formyl-6-methylphenoxy)-N-(3-methoxypropyl)propanamide
SMILESCOCCCNC(=O)C(C)Oc1c(C)cccc1C=O
InChIInChI=1S/C15H21NO4/c1-11-6-4-7-13(10-17)14(11)20-12(2)15(18)16-8-5-9-19-3/h4,6-7,10,12H,5,8-9H2,1-3H3,(H,16,18)
InChIKeyFBZJPWGHQFDHQV-UHFFFAOYSA-N
XLogP1.73
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-bromo-6-formylphenoxy)-N-(2-methoxyethyl)propanamide
CID 61390814
2-(2-formyl-6-methylphenoxy)-N-propan-2-ylpropanamide
CID 112611177
2-(2-fluoro-6-formylphenoxy)-N-pentylpropanamide
CID 115955752
2-(1-methoxypropan-2-yloxy)-3-methylbenzaldehyde
CID 112610920
2-(2-amino-6-chlorophenoxy)-N-(3-methoxypropyl)propanamide
CID 107715953
2-[2-(2-aminopropyl)-6-methylphenoxy]-N-(2-methoxyethyl)propanamide
CID 115958032
(2S)-2-(3-methoxyphenoxy)-N-(3-methoxypropyl)propanamide
CID 92673516
2-[2-(aminomethyl)-6-methoxyphenoxy]-N-(3-methoxypropyl)propanamide
CID 43471430
3-fluoro-2-[1-(3-methoxypropylamino)-1-oxopropan-2-yl]oxybenzoic acid
CID 115956076
2-(2-chloro-6-formylphenoxy)-N-(3-methoxypropyl)acetamide
CID 112611471
2-(3-hydroxyphenoxy)-N-(3-methoxypropyl)propanamide
CID 43326339
2-(5-amino-2-methylphenoxy)-N-(3-methoxypropyl)propanamide
CID 43520147

Frequently Asked Questions

What is the IUPAC name of 2-(2-formyl-6-methylphenoxy)-N-(3-methoxypropyl)propanamide?
The IUPAC name of 2-(2-formyl-6-methylphenoxy)-N-(3-methoxypropyl)propanamide (CID 115955495) is 2-(2-formyl-6-methylphenoxy)-N-(3-methoxypropyl)propanamide.
What is the SMILES notation for 2-(2-formyl-6-methylphenoxy)-N-(3-methoxypropyl)propanamide?
The canonical SMILES for 2-(2-formyl-6-methylphenoxy)-N-(3-methoxypropyl)propanamide is COCCCNC(=O)C(C)Oc1c(C)cccc1C=O.
What is the InChIKey of 2-(2-formyl-6-methylphenoxy)-N-(3-methoxypropyl)propanamide?
The InChIKey is FBZJPWGHQFDHQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-11-6-4-7-13(10-17)14(11)20-12(2)15(18)16-8-5-9-19-3/h4,6-7,10,12H,5,8-9H2,1-3H3,(H,16,18).
What are the key properties of 2-(2-formyl-6-methylphenoxy)-N-(3-methoxypropyl)propanamide?
2-(2-formyl-6-methylphenoxy)-N-(3-methoxypropyl)propanamide has a molecular weight of 279.34 g/mol, XLogP of 1.73, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-formyl-6-methylphenoxy)-N-(3-methoxypropyl)propanamide is sourced from PubChem (CID 115955495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).