2-amino-1-(2-hexadecoxyphenyl)ethanone

C24H41NO2 — CID 170860308

IUPAC2-amino-1-(2-hexadecoxyphenyl)ethanone
SMILESCCCCCCCCCCCCCCCCOc1ccccc1C(=O)CN
InChIInChI=1S/C24H41NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20-27-24-19-16-15-18-22(24)23(26)21-25/h15-16,18-19H,2-14,17,20-21,25H2,1H3
InChIKeyIGDCSJHCDADVRM-UHFFFAOYSA-N
MW375.60 g/mol
LogP6.69
Rot. Bonds18

About 2-amino-1-(2-hexadecoxyphenyl)ethanone

2-amino-1-(2-hexadecoxyphenyl)ethanone (PubChem CID 170860308) has the molecular formula C24H41NO2 and a molecular weight of 375.60 g/mol. Its IUPAC name is 2-amino-1-(2-hexadecoxyphenyl)ethanone.

Molecular Properties

Compound Name2-amino-1-(2-hexadecoxyphenyl)ethanone
PubChem CID170860308
Molecular FormulaC24H41NO2
Molecular Weight375.60 g/mol
Exact Mass375.31
IUPAC Name2-amino-1-(2-hexadecoxyphenyl)ethanone
SMILESCCCCCCCCCCCCCCCCOc1ccccc1C(=O)CN
InChIInChI=1S/C24H41NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20-27-24-19-16-15-18-22(24)23(26)21-25/h15-16,18-19H,2-14,17,20-21,25H2,1H3
InChIKeyIGDCSJHCDADVRM-UHFFFAOYSA-N
XLogP6.69
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.60
LogP ≤ 56.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

dodecyl 2-dodecoxybenzoate
CID 57240468
hexyl 2-hexoxybenzoate
CID 86163108
hexyl 2-butoxybenzoate
CID 70562326
butyl 2-octoxybenzoate
CID 50943104
butyl 2-nonoxybenzoate
CID 151830441
2-dodecoxybenzoic acid;nickel
CID 87443191
2-nonoxybenzoic acid;zinc
CID 70396181
[2-(2-aminoacetyl)phenyl] nonanoate
CID 18971010
magnesium bis(2-decoxybenzoate)
CID 70413847
2-pentoxybenzohydrazide
CID 54793215
calcium;2-hexadecoxybenzoic acid;hydride
CID 173426862
2-pentoxybenzoic acid;hydrochloride
CID 70416265

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2-hexadecoxyphenyl)ethanone?
The IUPAC name of 2-amino-1-(2-hexadecoxyphenyl)ethanone (CID 170860308) is 2-amino-1-(2-hexadecoxyphenyl)ethanone.
What is the SMILES notation for 2-amino-1-(2-hexadecoxyphenyl)ethanone?
The canonical SMILES for 2-amino-1-(2-hexadecoxyphenyl)ethanone is CCCCCCCCCCCCCCCCOc1ccccc1C(=O)CN.
What is the InChIKey of 2-amino-1-(2-hexadecoxyphenyl)ethanone?
The InChIKey is IGDCSJHCDADVRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H41NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20-27-24-19-16-15-18-22(24)23(26)21-25/h15-16,18-19H,2-14,17,20-21,25H2,1H3.
What are the key properties of 2-amino-1-(2-hexadecoxyphenyl)ethanone?
2-amino-1-(2-hexadecoxyphenyl)ethanone has a molecular weight of 375.60 g/mol, XLogP of 6.69, 18 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(2-hexadecoxyphenyl)ethanone is sourced from PubChem (CID 170860308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).