N-butyl-2-(2-formyl-4-methoxyphenoxy)acetamide

C14H19NO4 — CID 60624633

IUPACN-butyl-2-(2-formyl-4-methoxyphenoxy)acetamide
SMILESCCCCNC(=O)COc1ccc(OC)cc1C=O
InChIInChI=1S/C14H19NO4/c1-3-4-7-15-14(17)10-19-13-6-5-12(18-2)8-11(13)9-16/h5-6,8-9H,3-4,7,10H2,1-2H3,(H,15,17)
InChIKeyTTWGMNNWJMPOBK-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.80
Rot. Bonds8

About N-butyl-2-(2-formyl-4-methoxyphenoxy)acetamide

N-butyl-2-(2-formyl-4-methoxyphenoxy)acetamide (PubChem CID 60624633) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is N-butyl-2-(2-formyl-4-methoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-butyl-2-(2-formyl-4-methoxyphenoxy)acetamide
PubChem CID60624633
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC NameN-butyl-2-(2-formyl-4-methoxyphenoxy)acetamide
SMILESCCCCNC(=O)COc1ccc(OC)cc1C=O
InChIInChI=1S/C14H19NO4/c1-3-4-7-15-14(17)10-19-13-6-5-12(18-2)8-11(13)9-16/h5-6,8-9H,3-4,7,10H2,1-2H3,(H,15,17)
InChIKeyTTWGMNNWJMPOBK-UHFFFAOYSA-N
XLogP1.80
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
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'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(cyanomethyl)-2-(2-formyl-4-methoxyphenoxy)acetamide
CID 43267879
2-(2-formyl-4-methoxyphenoxy)-N-(2-methylpropyl)acetamide
CID 8633827
2-(2-formyl-4-methoxyphenoxy)-N-(2-phenylsulfanylethyl)acetamide
CID 8869062
N-butyl-2-[2-(ethylaminomethyl)-5-methoxyphenoxy]acetamide
CID 61485485
2-(2-formyl-4-methoxyphenoxy)-N-[(3-methoxyphenyl)methyl]acetamide
CID 8633789
N-[(2R)-butan-2-yl]-2-(2-formyl-4-methoxyphenoxy)acetamide
CID 8633812
2-[2-(aminomethyl)-5-methoxyphenoxy]-N-butylacetamide
CID 61485483
N-butyl-2-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]oxyacetamide
CID 9355431
5-methoxy-2-undecoxybenzaldehyde
CID 15617492
N-butyl-2-(7-methoxynaphthalen-2-yl)oxyacetamide
CID 7652513
N-(4-acetamidophenyl)-2-(2-formyl-4-methoxyphenoxy)acetamide
CID 8634202
4-(2-formyl-4-methoxyphenoxy)-N-methylbutanamide
CID 63890145

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(2-formyl-4-methoxyphenoxy)acetamide?
The IUPAC name of N-butyl-2-(2-formyl-4-methoxyphenoxy)acetamide (CID 60624633) is N-butyl-2-(2-formyl-4-methoxyphenoxy)acetamide.
What is the SMILES notation for N-butyl-2-(2-formyl-4-methoxyphenoxy)acetamide?
The canonical SMILES for N-butyl-2-(2-formyl-4-methoxyphenoxy)acetamide is CCCCNC(=O)COc1ccc(OC)cc1C=O.
What is the InChIKey of N-butyl-2-(2-formyl-4-methoxyphenoxy)acetamide?
The InChIKey is TTWGMNNWJMPOBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-3-4-7-15-14(17)10-19-13-6-5-12(18-2)8-11(13)9-16/h5-6,8-9H,3-4,7,10H2,1-2H3,(H,15,17).
What are the key properties of N-butyl-2-(2-formyl-4-methoxyphenoxy)acetamide?
N-butyl-2-(2-formyl-4-methoxyphenoxy)acetamide has a molecular weight of 265.31 g/mol, XLogP of 1.80, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(2-formyl-4-methoxyphenoxy)acetamide is sourced from PubChem (CID 60624633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).