2-(4-formyl-2-methoxyphenoxy)-N-propan-2-ylpropanamide

C14H19NO4 — CID 43084736

IUPAC2-(4-formyl-2-methoxyphenoxy)-N-propan-2-ylpropanamide
SMILESCOc1cc(C=O)ccc1OC(C)C(=O)NC(C)C
InChIInChI=1S/C14H19NO4/c1-9(2)15-14(17)10(3)19-12-6-5-11(8-16)7-13(12)18-4/h5-10H,1-4H3,(H,15,17)
InChIKeyLLMWYDCFRRHNPT-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.80
Rot. Bonds6

About 2-(4-formyl-2-methoxyphenoxy)-N-propan-2-ylpropanamide

2-(4-formyl-2-methoxyphenoxy)-N-propan-2-ylpropanamide (PubChem CID 43084736) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-(4-formyl-2-methoxyphenoxy)-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name2-(4-formyl-2-methoxyphenoxy)-N-propan-2-ylpropanamide
PubChem CID43084736
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name2-(4-formyl-2-methoxyphenoxy)-N-propan-2-ylpropanamide
SMILESCOc1cc(C=O)ccc1OC(C)C(=O)NC(C)C
InChIInChI=1S/C14H19NO4/c1-9(2)15-14(17)10(3)19-12-6-5-11(8-16)7-13(12)18-4/h5-10H,1-4H3,(H,15,17)
InChIKeyLLMWYDCFRRHNPT-UHFFFAOYSA-N
XLogP1.80
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-formyl-2-methoxyphenoxy)-N-methylpropanamide
CID 43085549
2-(5-formyl-2-methoxyphenoxy)-N-methylpropanamide
CID 43085566
2-(4-formyl-2-methoxyphenoxy)-N-(3-methylbutyl)propanamide
CID 43112243
2-(4-formyl-2-methoxyphenoxy)-N-(3-methoxypropyl)propanamide
CID 43112242
(2S)-N-(4-bromophenyl)-2-(4-formyl-2-methoxyphenoxy)propanamide
CID 7894186
2-(5-formyl-2-nitrophenoxy)-N-propan-2-ylpropanamide
CID 62114325
2-[4-[(1S)-1-hydroxyethyl]-2-methoxyphenoxy]-N-propan-2-ylpropanamide
CID 78931101
N-ethyl-2-(5-formyl-2-methoxyphenoxy)propanamide
CID 43085567
2-(5-formyl-2-methoxyphenoxy)-N-(2-methylpropyl)propanamide
CID 43086535
(4-formyl-2-methoxyphenyl) (2S)-2-methoxypropanoate
CID 135271655
(4-formyl-2-methoxyphenyl) 2-methylpropanoate
CID 539829
(2R)-N-(5-chloro-2-methoxyphenyl)-2-(2-ethoxy-4-formylphenoxy)propanamide
CID 8009854

Frequently Asked Questions

What is the IUPAC name of 2-(4-formyl-2-methoxyphenoxy)-N-propan-2-ylpropanamide?
The IUPAC name of 2-(4-formyl-2-methoxyphenoxy)-N-propan-2-ylpropanamide (CID 43084736) is 2-(4-formyl-2-methoxyphenoxy)-N-propan-2-ylpropanamide.
What is the SMILES notation for 2-(4-formyl-2-methoxyphenoxy)-N-propan-2-ylpropanamide?
The canonical SMILES for 2-(4-formyl-2-methoxyphenoxy)-N-propan-2-ylpropanamide is COc1cc(C=O)ccc1OC(C)C(=O)NC(C)C.
What is the InChIKey of 2-(4-formyl-2-methoxyphenoxy)-N-propan-2-ylpropanamide?
The InChIKey is LLMWYDCFRRHNPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-9(2)15-14(17)10(3)19-12-6-5-11(8-16)7-13(12)18-4/h5-10H,1-4H3,(H,15,17).
What are the key properties of 2-(4-formyl-2-methoxyphenoxy)-N-propan-2-ylpropanamide?
2-(4-formyl-2-methoxyphenoxy)-N-propan-2-ylpropanamide has a molecular weight of 265.31 g/mol, XLogP of 1.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-formyl-2-methoxyphenoxy)-N-propan-2-ylpropanamide is sourced from PubChem (CID 43084736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).