N-but-3-en-2-yl-3,4-diethoxyaniline

C14H21NO2 — CID 114014515

IUPACN-but-3-en-2-yl-3,4-diethoxyaniline
SMILESC=CC(C)Nc1ccc(OCC)c(OCC)c1
InChIInChI=1S/C14H21NO2/c1-5-11(4)15-12-8-9-13(16-6-2)14(10-12)17-7-3/h5,8-11,15H,1,6-7H2,2-4H3
InChIKeyISXUTSNFHHZQJQ-UHFFFAOYSA-N
MW235.33 g/mol
LogP3.47
Rot. Bonds7

About N-but-3-en-2-yl-3,4-diethoxyaniline

N-but-3-en-2-yl-3,4-diethoxyaniline (PubChem CID 114014515) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is N-but-3-en-2-yl-3,4-diethoxyaniline.

Molecular Properties

Compound NameN-but-3-en-2-yl-3,4-diethoxyaniline
PubChem CID114014515
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC NameN-but-3-en-2-yl-3,4-diethoxyaniline
SMILESC=CC(C)Nc1ccc(OCC)c(OCC)c1
InChIInChI=1S/C14H21NO2/c1-5-11(4)15-12-8-9-13(16-6-2)14(10-12)17-7-3/h5,8-11,15H,1,6-7H2,2-4H3
InChIKeyISXUTSNFHHZQJQ-UHFFFAOYSA-N
XLogP3.47
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-ethoxy-N-propan-2-yl-4-propan-2-yloxyaniline
CID 83952039
N-(3,4-diethoxyphenyl)prop-2-enamide
CID 43616319
4-ethoxy-3-methoxy-N-(1-methoxypropan-2-yl)aniline
CID 62536992
4-ethoxy-3-methoxy-N-(2-methylpentan-3-yl)aniline
CID 43785298
3-ethoxy-4-methoxy-N-(1-methylsulfonylpropan-2-yl)aniline
CID 64629532
1-(3,4-diethoxyphenyl)-3-ethenylurea
CID 108909159
1-(3,4-diethoxyphenyl)prop-2-en-1-amine
CID 105000806
3,4-diethoxy-N-hept-6-enylaniline
CID 107006456
3-(3-ethoxy-4-methoxyanilino)-2-methylbutan-2-ol
CID 65337928
1-(3,4-diethoxyphenyl)-N-propylbut-3-en-1-amine
CID 116660997
N-(3,4-diethoxyphenyl)acetamide
CID 13120229
4-ethoxy-3-methoxy-N-(1-pyridin-4-ylethyl)aniline
CID 43717339

Frequently Asked Questions

What is the IUPAC name of N-but-3-en-2-yl-3,4-diethoxyaniline?
The IUPAC name of N-but-3-en-2-yl-3,4-diethoxyaniline (CID 114014515) is N-but-3-en-2-yl-3,4-diethoxyaniline.
What is the SMILES notation for N-but-3-en-2-yl-3,4-diethoxyaniline?
The canonical SMILES for N-but-3-en-2-yl-3,4-diethoxyaniline is C=CC(C)Nc1ccc(OCC)c(OCC)c1.
What is the InChIKey of N-but-3-en-2-yl-3,4-diethoxyaniline?
The InChIKey is ISXUTSNFHHZQJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-5-11(4)15-12-8-9-13(16-6-2)14(10-12)17-7-3/h5,8-11,15H,1,6-7H2,2-4H3.
What are the key properties of N-but-3-en-2-yl-3,4-diethoxyaniline?
N-but-3-en-2-yl-3,4-diethoxyaniline has a molecular weight of 235.33 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-en-2-yl-3,4-diethoxyaniline is sourced from PubChem (CID 114014515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).