N-[(E)-6-(4-formylphenoxy)hex-1-enyl]acetamide

C15H19NO3 — CID 162419278

IUPACN-[(E)-6-(4-formylphenoxy)hex-1-enyl]acetamide
SMILESCC(=O)N/C=C/CCCCOc1ccc(C=O)cc1
InChIInChI=1S/C15H19NO3/c1-13(18)16-10-4-2-3-5-11-19-15-8-6-14(12-17)7-9-15/h4,6-10,12H,2-3,5,11H2,1H3,(H,16,18)/b10-4+
InChIKeyYNOWDIZRIQSZBM-ONNFQVAWSA-N
MW261.32 g/mol
LogP2.70
Rot. Bonds8

About N-[(E)-6-(4-formylphenoxy)hex-1-enyl]acetamide

N-[(E)-6-(4-formylphenoxy)hex-1-enyl]acetamide (PubChem CID 162419278) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is N-[(E)-6-(4-formylphenoxy)hex-1-enyl]acetamide.

Molecular Properties

Compound NameN-[(E)-6-(4-formylphenoxy)hex-1-enyl]acetamide
PubChem CID162419278
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC NameN-[(E)-6-(4-formylphenoxy)hex-1-enyl]acetamide
SMILESCC(=O)N/C=C/CCCCOc1ccc(C=O)cc1
InChIInChI=1S/C15H19NO3/c1-13(18)16-10-4-2-3-5-11-19-15-8-6-14(12-17)7-9-15/h4,6-10,12H,2-3,5,11H2,1H3,(H,16,18)/b10-4+
InChIKeyYNOWDIZRIQSZBM-ONNFQVAWSA-N
XLogP2.70
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.70
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-[3-(4-formylphenoxy)propyl]acetamide
CID 82037091
4-[5-(4-formylphenoxy)pentoxy]benzaldehyde
CID 6421022
4-[12-(4-formylphenoxy)dodecoxy]benzaldehyde
CID 19038503
4-(4-methylpent-3-enoxy)benzaldehyde
CID 139652723
5-(4-formylphenoxy)pentanehydrazide
CID 63569079
4-(16-hydroxyhexadecoxy)benzaldehyde
CID 22987553
4-(6-hydroxyhexoxy)benzaldehyde
CID 15051082
4-[4-(4-formylphenoxy)butyl]benzaldehyde
CID 87112127
4-icosoxybenzaldehyde
CID 23127488
10-(4-formylphenoxy)decyl [(E)-heptadec-8-enyl] hydrogen phosphate
CID 101470818
7-(4-formylphenoxy)heptanoic acid
CID 169448959
ethanol;4-octadecoxybenzaldehyde
CID 158692714

Frequently Asked Questions

What is the IUPAC name of N-[(E)-6-(4-formylphenoxy)hex-1-enyl]acetamide?
The IUPAC name of N-[(E)-6-(4-formylphenoxy)hex-1-enyl]acetamide (CID 162419278) is N-[(E)-6-(4-formylphenoxy)hex-1-enyl]acetamide.
What is the SMILES notation for N-[(E)-6-(4-formylphenoxy)hex-1-enyl]acetamide?
The canonical SMILES for N-[(E)-6-(4-formylphenoxy)hex-1-enyl]acetamide is CC(=O)N/C=C/CCCCOc1ccc(C=O)cc1.
What is the InChIKey of N-[(E)-6-(4-formylphenoxy)hex-1-enyl]acetamide?
The InChIKey is YNOWDIZRIQSZBM-ONNFQVAWSA-N. The full InChI is InChI=1S/C15H19NO3/c1-13(18)16-10-4-2-3-5-11-19-15-8-6-14(12-17)7-9-15/h4,6-10,12H,2-3,5,11H2,1H3,(H,16,18)/b10-4+.
What are the key properties of N-[(E)-6-(4-formylphenoxy)hex-1-enyl]acetamide?
N-[(E)-6-(4-formylphenoxy)hex-1-enyl]acetamide has a molecular weight of 261.32 g/mol, XLogP of 2.70, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-6-(4-formylphenoxy)hex-1-enyl]acetamide is sourced from PubChem (CID 162419278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).