N-ethyl-4-(4-formyl-3-methylphenoxy)butanamide

C14H19NO3 — CID 59122301

IUPACN-ethyl-4-(4-formyl-3-methylphenoxy)butanamide
SMILESCCNC(=O)CCCOc1ccc(C=O)c(C)c1
InChIInChI=1S/C14H19NO3/c1-3-15-14(17)5-4-8-18-13-7-6-12(10-16)11(2)9-13/h6-7,9-10H,3-5,8H2,1-2H3,(H,15,17)
InChIKeyJMQRNJBZRDLWAU-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.10
Rot. Bonds7

About N-ethyl-4-(4-formyl-3-methylphenoxy)butanamide

N-ethyl-4-(4-formyl-3-methylphenoxy)butanamide (PubChem CID 59122301) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-ethyl-4-(4-formyl-3-methylphenoxy)butanamide.

Molecular Properties

Compound NameN-ethyl-4-(4-formyl-3-methylphenoxy)butanamide
PubChem CID59122301
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC NameN-ethyl-4-(4-formyl-3-methylphenoxy)butanamide
SMILESCCNC(=O)CCCOc1ccc(C=O)c(C)c1
InChIInChI=1S/C14H19NO3/c1-3-15-14(17)5-4-8-18-13-7-6-12(10-16)11(2)9-13/h6-7,9-10H,3-5,8H2,1-2H3,(H,15,17)
InChIKeyJMQRNJBZRDLWAU-UHFFFAOYSA-N
XLogP2.10
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-ethyl-4-(4-methoxyphenoxy)butanamide
CID 21173657
methoxymethane;methyl 5-[3-(4-formyl-3-methylphenoxy)propoxy]-2-methylbenzoate
CID 171810853
N-ethyl-2-(2-formyl-5-propoxyphenoxy)acetamide
CID 43388307
4-(4-formyl-3-hydroxyphenoxy)-N-methylbutanamide
CID 142179795
2-methyl-4-(2-phenoxyethoxy)benzaldehyde
CID 79118702
ethyl 4-(4-formyl-3-hydroxyphenoxy)butanoate
CID 19603738
4-(4-chloro-3-methylphenoxy)-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]butanamide
CID 32937961
N-ethyl-2,6-bis[4-(4-formyl-3-methoxyphenoxy)butanoylamino]hexanamide
CID 134942745
4-(4-chloro-3-methylphenoxy)-N-[(2R)-2-(ethylamino)propyl]butanamide
CID 120650627
4-(3,4-dimethylphenoxy)-N-[(1-hydroxycyclobutyl)methyl]butanamide
CID 111560556
4-(4-amino-3-methylphenoxy)-N-methylbutanamide
CID 63892855
N-ethyl-3-(3-methylphenoxy)propanamide
CID 2129235

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(4-formyl-3-methylphenoxy)butanamide?
The IUPAC name of N-ethyl-4-(4-formyl-3-methylphenoxy)butanamide (CID 59122301) is N-ethyl-4-(4-formyl-3-methylphenoxy)butanamide.
What is the SMILES notation for N-ethyl-4-(4-formyl-3-methylphenoxy)butanamide?
The canonical SMILES for N-ethyl-4-(4-formyl-3-methylphenoxy)butanamide is CCNC(=O)CCCOc1ccc(C=O)c(C)c1.
What is the InChIKey of N-ethyl-4-(4-formyl-3-methylphenoxy)butanamide?
The InChIKey is JMQRNJBZRDLWAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-3-15-14(17)5-4-8-18-13-7-6-12(10-16)11(2)9-13/h6-7,9-10H,3-5,8H2,1-2H3,(H,15,17).
What are the key properties of N-ethyl-4-(4-formyl-3-methylphenoxy)butanamide?
N-ethyl-4-(4-formyl-3-methylphenoxy)butanamide has a molecular weight of 249.31 g/mol, XLogP of 2.10, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(4-formyl-3-methylphenoxy)butanamide is sourced from PubChem (CID 59122301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).