2-(N-decylanilino)ethyl acetate

C20H33NO2 — CID 70658915

IUPAC2-(N-decylanilino)ethyl acetate
SMILESCCCCCCCCCCN(CCOC(C)=O)c1ccccc1
InChIInChI=1S/C20H33NO2/c1-3-4-5-6-7-8-9-13-16-21(17-18-23-19(2)22)20-14-11-10-12-15-20/h10-12,14-15H,3-9,13,16-18H2,1-2H3
InChIKeyASIFSPCEHDVYTN-UHFFFAOYSA-N
MW319.49 g/mol
LogP5.20
Rot. Bonds13

About 2-(N-decylanilino)ethyl acetate

2-(N-decylanilino)ethyl acetate (PubChem CID 70658915) has the molecular formula C20H33NO2 and a molecular weight of 319.49 g/mol. Its IUPAC name is 2-(N-decylanilino)ethyl acetate.

Molecular Properties

Compound Name2-(N-decylanilino)ethyl acetate
PubChem CID70658915
Molecular FormulaC20H33NO2
Molecular Weight319.49 g/mol
Exact Mass319.25
IUPAC Name2-(N-decylanilino)ethyl acetate
SMILESCCCCCCCCCCN(CCOC(C)=O)c1ccccc1
InChIInChI=1S/C20H33NO2/c1-3-4-5-6-7-8-9-13-16-21(17-18-23-19(2)22)20-14-11-10-12-15-20/h10-12,14-15H,3-9,13,16-18H2,1-2H3
InChIKeyASIFSPCEHDVYTN-UHFFFAOYSA-N
XLogP5.20
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.49
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N-di(nonyl)aniline
CID 22637953
N-heptyl-N-pentylaniline
CID 154378615
2-[N-(2-sulfooxyethyl)anilino]ethyl acetate
CID 88713533
3-(N-benzylanilino)propyl acetate
CID 54183872
3-[N-[2-(2-methylprop-2-enoyloxy)ethyl]anilino]propyl 2-methylprop-2-enoate
CID 144769323
4-(N-phenylanilino)butyl acetate
CID 2782353
4-(N-butylanilino)butyl phenyl carbonate
CID 21419980
3-(N-hexylanilino)propanethioamide
CID 29006609
2-(carboxymethoxy)acetic acid;N,N-dibutylaniline
CID 160531229
3-(N-butylanilino)propanamide
CID 63172183
N-hexyl-N-phenylacetamide
CID 13217997
1-N,1-N,4-N,4-N-tetraoctylbenzene-1,4-diamine
CID 71367267

Frequently Asked Questions

What is the IUPAC name of 2-(N-decylanilino)ethyl acetate?
The IUPAC name of 2-(N-decylanilino)ethyl acetate (CID 70658915) is 2-(N-decylanilino)ethyl acetate.
What is the SMILES notation for 2-(N-decylanilino)ethyl acetate?
The canonical SMILES for 2-(N-decylanilino)ethyl acetate is CCCCCCCCCCN(CCOC(C)=O)c1ccccc1.
What is the InChIKey of 2-(N-decylanilino)ethyl acetate?
The InChIKey is ASIFSPCEHDVYTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33NO2/c1-3-4-5-6-7-8-9-13-16-21(17-18-23-19(2)22)20-14-11-10-12-15-20/h10-12,14-15H,3-9,13,16-18H2,1-2H3.
What are the key properties of 2-(N-decylanilino)ethyl acetate?
2-(N-decylanilino)ethyl acetate has a molecular weight of 319.49 g/mol, XLogP of 5.20, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-decylanilino)ethyl acetate is sourced from PubChem (CID 70658915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).