4-(N-phenylanilino)butyl acetate

C18H21NO2 — CID 2782353

IUPAC4-(N-phenylanilino)butyl acetate
SMILESCC(=O)OCCCCN(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H21NO2/c1-16(20)21-15-9-8-14-19(17-10-4-2-5-11-17)18-12-6-3-7-13-18/h2-7,10-13H,8-9,14-15H2,1H3
InChIKeyNXOWSKAKAGDOBG-UHFFFAOYSA-N
MW283.37 g/mol
LogP4.17
Rot. Bonds7

About 4-(N-phenylanilino)butyl acetate

4-(N-phenylanilino)butyl acetate (PubChem CID 2782353) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 4-(N-phenylanilino)butyl acetate.

Molecular Properties

Compound Name4-(N-phenylanilino)butyl acetate
PubChem CID2782353
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name4-(N-phenylanilino)butyl acetate
SMILESCC(=O)OCCCCN(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H21NO2/c1-16(20)21-15-9-8-14-19(17-10-4-2-5-11-17)18-12-6-3-7-13-18/h2-7,10-13H,8-9,14-15H2,1H3
InChIKeyNXOWSKAKAGDOBG-UHFFFAOYSA-N
XLogP4.17
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 54.17
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

3-(N-benzylanilino)propyl acetate
CID 54183872
2-(N-decylanilino)ethyl acetate
CID 70658915
6-(N-methylanilino)hexyl 2-methylprop-2-enoate
CID 11780765
3-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenoxy]propyl acetate
CID 20605378
5-[(2-bromophenyl)methyl-methylamino]pentyl acetate
CID 118630602
9-acetyloxynonyl(triphenyl)phosphanium bromide
CID 11092632
11-acetyloxyundecyl acetate
CID 87784419
2-(N-[[N-(2-acetyloxyethyl)anilino]disulfanyl]anilino)ethyl prop-2-enoate
CID 177123986
2-[N-(2-sulfooxyethyl)anilino]ethyl acetate
CID 88713533
benzoic acid;butyl acetate
CID 67420594
3-diphenylphosphanylpropyl acetate
CID 57133096
butane;N-octyl-N-phenylaniline
CID 175431375

Frequently Asked Questions

What is the IUPAC name of 4-(N-phenylanilino)butyl acetate?
The IUPAC name of 4-(N-phenylanilino)butyl acetate (CID 2782353) is 4-(N-phenylanilino)butyl acetate.
What is the SMILES notation for 4-(N-phenylanilino)butyl acetate?
The canonical SMILES for 4-(N-phenylanilino)butyl acetate is CC(=O)OCCCCN(c1ccccc1)c1ccccc1.
What is the InChIKey of 4-(N-phenylanilino)butyl acetate?
The InChIKey is NXOWSKAKAGDOBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-16(20)21-15-9-8-14-19(17-10-4-2-5-11-17)18-12-6-3-7-13-18/h2-7,10-13H,8-9,14-15H2,1H3.
What are the key properties of 4-(N-phenylanilino)butyl acetate?
4-(N-phenylanilino)butyl acetate has a molecular weight of 283.37 g/mol, XLogP of 4.17, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(N-phenylanilino)butyl acetate is sourced from PubChem (CID 2782353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).