4-(4-amino-3-ethylphenyl)but-3-ynamide

C12H14N2O — CID 170473064

IUPAC4-(4-amino-3-ethylphenyl)but-3-ynamide
SMILESCCc1cc(C#CCC(N)=O)ccc1N
InChIInChI=1S/C12H14N2O/c1-2-10-8-9(6-7-11(10)13)4-3-5-12(14)15/h6-8H,2,5,13H2,1H3,(H2,14,15)
InChIKeyDTGDJXZVKPOKQN-UHFFFAOYSA-N
MW202.26 g/mol
LogP1.06
Rot. Bonds2

About 4-(4-amino-3-ethylphenyl)but-3-ynamide

4-(4-amino-3-ethylphenyl)but-3-ynamide (PubChem CID 170473064) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 4-(4-amino-3-ethylphenyl)but-3-ynamide.

Molecular Properties

Compound Name4-(4-amino-3-ethylphenyl)but-3-ynamide
PubChem CID170473064
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name4-(4-amino-3-ethylphenyl)but-3-ynamide
SMILESCCc1cc(C#CCC(N)=O)ccc1N
InChIInChI=1S/C12H14N2O/c1-2-10-8-9(6-7-11(10)13)4-3-5-12(14)15/h6-8H,2,5,13H2,1H3,(H2,14,15)
InChIKeyDTGDJXZVKPOKQN-UHFFFAOYSA-N
XLogP1.06
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(4-amino-3-bromophenyl)but-3-ynamide
CID 170474119
4-(4-chlorobut-1-ynyl)-2-ethylaniline
CID 170467779
4-[4-amino-3-(trifluoromethyl)phenyl]but-3-ynamide
CID 170473673
4-(4-amino-3-nitrophenyl)but-3-ynamide
CID 170473416
2-[5-(4-amino-4-oxobut-1-ynyl)-2-methoxyphenyl]acetic acid
CID 170473910
4-(3-bromo-4-methylphenyl)but-3-ynamide
CID 170474096
4-[4-(hydroxymethyl)-3-methoxyphenyl]but-3-ynamide
CID 170473321
4-(4-chlorophenyl)but-3-ynamide
CID 170472446
4-[4-(cyanomethyl)-3-fluorophenyl]but-3-ynamide
CID 170473438
4-(3-nitrophenyl)but-3-ynamide
CID 170473123
4-[4-(4-aminophenoxy)phenyl]but-3-ynamide
CID 170474044
4-[4-(methoxymethyl)phenyl]but-3-ynamide
CID 170472949

Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-3-ethylphenyl)but-3-ynamide?
The IUPAC name of 4-(4-amino-3-ethylphenyl)but-3-ynamide (CID 170473064) is 4-(4-amino-3-ethylphenyl)but-3-ynamide.
What is the SMILES notation for 4-(4-amino-3-ethylphenyl)but-3-ynamide?
The canonical SMILES for 4-(4-amino-3-ethylphenyl)but-3-ynamide is CCc1cc(C#CCC(N)=O)ccc1N.
What is the InChIKey of 4-(4-amino-3-ethylphenyl)but-3-ynamide?
The InChIKey is DTGDJXZVKPOKQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-2-10-8-9(6-7-11(10)13)4-3-5-12(14)15/h6-8H,2,5,13H2,1H3,(H2,14,15).
What are the key properties of 4-(4-amino-3-ethylphenyl)but-3-ynamide?
4-(4-amino-3-ethylphenyl)but-3-ynamide has a molecular weight of 202.26 g/mol, XLogP of 1.06, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-3-ethylphenyl)but-3-ynamide is sourced from PubChem (CID 170473064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).