14-(2-butoxyanilino)-14-oxotetradecanoic acid

C24H39NO4 — CID 57100527

IUPAC14-(2-butoxyanilino)-14-oxotetradecanoic acid
SMILESCCCCOc1ccccc1NC(=O)CCCCCCCCCCCCC(=O)O
InChIInChI=1S/C24H39NO4/c1-2-3-20-29-22-17-15-14-16-21(22)25-23(26)18-12-10-8-6-4-5-7-9-11-13-19-24(27)28/h14-17H,2-13,18-20H2,1H3,(H,25,26)(H,27,28)
InChIKeyRSIZDTRLEQOJDA-UHFFFAOYSA-N
MW405.58 g/mol
LogP6.57
Rot. Bonds18

About 14-(2-butoxyanilino)-14-oxotetradecanoic acid

14-(2-butoxyanilino)-14-oxotetradecanoic acid (PubChem CID 57100527) has the molecular formula C24H39NO4 and a molecular weight of 405.58 g/mol. Its IUPAC name is 14-(2-butoxyanilino)-14-oxotetradecanoic acid.

Molecular Properties

Compound Name14-(2-butoxyanilino)-14-oxotetradecanoic acid
PubChem CID57100527
Molecular FormulaC24H39NO4
Molecular Weight405.58 g/mol
Exact Mass405.29
IUPAC Name14-(2-butoxyanilino)-14-oxotetradecanoic acid
SMILESCCCCOc1ccccc1NC(=O)CCCCCCCCCCCCC(=O)O
InChIInChI=1S/C24H39NO4/c1-2-3-20-29-22-17-15-14-16-21(22)25-23(26)18-12-10-8-6-4-5-7-9-11-13-19-24(27)28/h14-17H,2-13,18-20H2,1H3,(H,25,26)(H,27,28)
InChIKeyRSIZDTRLEQOJDA-UHFFFAOYSA-N
XLogP6.57
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.58
LogP ≤ 56.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-butoxyphenyl)tetradecanamide
CID 54789601
N,N'-bis(2-butoxyphenyl)hexanediamide
CID 17087317
12-[2-(4-carboxybutoxy)anilino]-12-oxododecanoic acid
CID 18796099
10-[2-(3-carboxypropoxy)anilino]-10-oxodecanoic acid
CID 18796122
11-[2-(carboxymethoxy)anilino]-11-oxoundecanoic acid
CID 18795886
N-(2-ethoxyphenyl)octanamide
CID 4158866
N-(2-butoxyphenyl)propanamide
CID 15943029
5-chloro-N-(2-propoxyphenyl)pentanamide
CID 43697480
5-oxo-5-[2-(2-phenoxyethoxy)anilino]pentanoic acid
CID 17130914
N,N'-bis[2-(2-phenoxyethoxy)phenyl]decanediamide
CID 17130993
N,N'-bis[2-(3-phenylpropoxy)phenyl]decanediamide
CID 17131518
4-(2-ethoxyphenoxy)-N-(2-ethoxyphenyl)butanamide
CID 7935064

Frequently Asked Questions

What is the IUPAC name of 14-(2-butoxyanilino)-14-oxotetradecanoic acid?
The IUPAC name of 14-(2-butoxyanilino)-14-oxotetradecanoic acid (CID 57100527) is 14-(2-butoxyanilino)-14-oxotetradecanoic acid.
What is the SMILES notation for 14-(2-butoxyanilino)-14-oxotetradecanoic acid?
The canonical SMILES for 14-(2-butoxyanilino)-14-oxotetradecanoic acid is CCCCOc1ccccc1NC(=O)CCCCCCCCCCCCC(=O)O.
What is the InChIKey of 14-(2-butoxyanilino)-14-oxotetradecanoic acid?
The InChIKey is RSIZDTRLEQOJDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H39NO4/c1-2-3-20-29-22-17-15-14-16-21(22)25-23(26)18-12-10-8-6-4-5-7-9-11-13-19-24(27)28/h14-17H,2-13,18-20H2,1H3,(H,25,26)(H,27,28).
What are the key properties of 14-(2-butoxyanilino)-14-oxotetradecanoic acid?
14-(2-butoxyanilino)-14-oxotetradecanoic acid has a molecular weight of 405.58 g/mol, XLogP of 6.57, 18 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 14-(2-butoxyanilino)-14-oxotetradecanoic acid is sourced from PubChem (CID 57100527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).