2-(2-butan-2-ylphenoxy)-N-hexadecylbutanamide

C30H53NO2 — CID 17150566

IUPAC2-(2-butan-2-ylphenoxy)-N-hexadecylbutanamide
SMILESCCCCCCCCCCCCCCCCNC(=O)C(CC)Oc1ccccc1C(C)CC
InChIInChI=1S/C30H53NO2/c1-5-8-9-10-11-12-13-14-15-16-17-18-19-22-25-31-30(32)28(7-3)33-29-24-21-20-23-27(29)26(4)6-2/h20-21,23-24,26,28H,5-19,22,25H2,1-4H3,(H,31,32)
InChIKeyTYDFKBJEWARLRS-UHFFFAOYSA-N
MW459.76 g/mol
LogP8.95
Rot. Bonds21

About 2-(2-butan-2-ylphenoxy)-N-hexadecylbutanamide

2-(2-butan-2-ylphenoxy)-N-hexadecylbutanamide (PubChem CID 17150566) has the molecular formula C30H53NO2 and a molecular weight of 459.76 g/mol. Its IUPAC name is 2-(2-butan-2-ylphenoxy)-N-hexadecylbutanamide.

Molecular Properties

Compound Name2-(2-butan-2-ylphenoxy)-N-hexadecylbutanamide
PubChem CID17150566
Molecular FormulaC30H53NO2
Molecular Weight459.76 g/mol
Exact Mass459.41
IUPAC Name2-(2-butan-2-ylphenoxy)-N-hexadecylbutanamide
SMILESCCCCCCCCCCCCCCCCNC(=O)C(CC)Oc1ccccc1C(C)CC
InChIInChI=1S/C30H53NO2/c1-5-8-9-10-11-12-13-14-15-16-17-18-19-22-25-31-30(32)28(7-3)33-29-24-21-20-23-27(29)26(4)6-2/h20-21,23-24,26,28H,5-19,22,25H2,1-4H3,(H,31,32)
InChIKeyTYDFKBJEWARLRS-UHFFFAOYSA-N
XLogP8.95
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds21
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.76
LogP ≤ 58.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-naphthalen-1-yloxy-N-pentylbutanamide
CID 94012357
(2S)-N-butyl-2-(2-methylphenoxy)butanamide
CID 30398295
(2S)-N-butyl-2-(2-methoxyphenoxy)butanamide
CID 40769022
N'-[2-(2-butan-2-ylphenoxy)butanoyl]-4-hexoxybenzohydrazide
CID 17150845
2-(2-butan-2-ylphenoxy)-N-(2-methoxyphenyl)butanamide
CID 17150650
N-(4-aminophenyl)-2-(2-butan-2-ylphenoxy)butanamide
CID 46735880
2-(2-butan-2-ylphenoxy)-N-(3,4-dimethylphenyl)butanamide
CID 17150580
N-[(2S)-2-[2-[(2R)-butan-2-yl]phenoxy]butyl]hexadecan-1-amine
CID 98044703
2-phenoxy-N-[8-(2-phenoxybutanoylamino)octyl]butanamide
CID 3440313
4-[2-(2-butan-2-ylphenoxy)butanoylamino]benzoic acid
CID 54855905
(2S)-2-naphthalen-2-yloxy-N-pentylbutanamide
CID 92647112
(2R)-2-phenoxy-N-[4-[[(2S)-2-phenoxybutanoyl]amino]butyl]butanamide
CID 7449151

Frequently Asked Questions

What is the IUPAC name of 2-(2-butan-2-ylphenoxy)-N-hexadecylbutanamide?
The IUPAC name of 2-(2-butan-2-ylphenoxy)-N-hexadecylbutanamide (CID 17150566) is 2-(2-butan-2-ylphenoxy)-N-hexadecylbutanamide.
What is the SMILES notation for 2-(2-butan-2-ylphenoxy)-N-hexadecylbutanamide?
The canonical SMILES for 2-(2-butan-2-ylphenoxy)-N-hexadecylbutanamide is CCCCCCCCCCCCCCCCNC(=O)C(CC)Oc1ccccc1C(C)CC.
What is the InChIKey of 2-(2-butan-2-ylphenoxy)-N-hexadecylbutanamide?
The InChIKey is TYDFKBJEWARLRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H53NO2/c1-5-8-9-10-11-12-13-14-15-16-17-18-19-22-25-31-30(32)28(7-3)33-29-24-21-20-23-27(29)26(4)6-2/h20-21,23-24,26,28H,5-19,22,25H2,1-4H3,(H,31,32).
What are the key properties of 2-(2-butan-2-ylphenoxy)-N-hexadecylbutanamide?
2-(2-butan-2-ylphenoxy)-N-hexadecylbutanamide has a molecular weight of 459.76 g/mol, XLogP of 8.95, 21 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-butan-2-ylphenoxy)-N-hexadecylbutanamide is sourced from PubChem (CID 17150566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).