4-[4-(4-aminophenoxy)phenyl]but-3-ynamide

C16H14N2O2 — CID 170474044

IUPAC4-[4-(4-aminophenoxy)phenyl]but-3-ynamide
SMILESNC(=O)CC#Cc1ccc(Oc2ccc(N)cc2)cc1
InChIInChI=1S/C16H14N2O2/c17-13-6-10-15(11-7-13)20-14-8-4-12(5-9-14)2-1-3-16(18)19/h4-11H,3,17H2,(H2,18,19)
InChIKeyBFIHLXZAKMCQPN-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.29
Rot. Bonds3

About 4-[4-(4-aminophenoxy)phenyl]but-3-ynamide

4-[4-(4-aminophenoxy)phenyl]but-3-ynamide (PubChem CID 170474044) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 4-[4-(4-aminophenoxy)phenyl]but-3-ynamide.

Molecular Properties

Compound Name4-[4-(4-aminophenoxy)phenyl]but-3-ynamide
PubChem CID170474044
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name4-[4-(4-aminophenoxy)phenyl]but-3-ynamide
SMILESNC(=O)CC#Cc1ccc(Oc2ccc(N)cc2)cc1
InChIInChI=1S/C16H14N2O2/c17-13-6-10-15(11-7-13)20-14-8-4-12(5-9-14)2-1-3-16(18)19/h4-11H,3,17H2,(H2,18,19)
InChIKeyBFIHLXZAKMCQPN-UHFFFAOYSA-N
XLogP2.29
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

4-(4-aminophenyl)but-3-ynoic acid
CID 67843396
4-(4-chlorophenyl)but-3-ynamide
CID 170472446
4-[4-(4-chlorobut-1-ynyl)phenoxy]aniline
CID 170468687
4-[4-[2-(dimethylamino)ethoxy]phenyl]but-3-ynamide
CID 170473957
4-[4-(methoxymethyl)phenyl]but-3-ynamide
CID 170472949
ethyl 4-(4-phenoxyphenyl)but-3-ynoate
CID 170472205
4-[4-(cyanomethyl)phenyl]but-3-ynamide
CID 170473077
4-(4-amino-3-bromophenyl)but-3-ynamide
CID 170474119
4-(4-aminophenoxy)aniline
CID 161415647
4-(3,5-dimethoxyphenyl)but-3-ynamide
CID 170473319
4-[4-[(E)-3-oxoprop-1-enyl]phenyl]but-3-ynamide
CID 170473357
4-(4-amino-3-ethylphenyl)but-3-ynamide
CID 170473064

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-aminophenoxy)phenyl]but-3-ynamide?
The IUPAC name of 4-[4-(4-aminophenoxy)phenyl]but-3-ynamide (CID 170474044) is 4-[4-(4-aminophenoxy)phenyl]but-3-ynamide.
What is the SMILES notation for 4-[4-(4-aminophenoxy)phenyl]but-3-ynamide?
The canonical SMILES for 4-[4-(4-aminophenoxy)phenyl]but-3-ynamide is NC(=O)CC#Cc1ccc(Oc2ccc(N)cc2)cc1.
What is the InChIKey of 4-[4-(4-aminophenoxy)phenyl]but-3-ynamide?
The InChIKey is BFIHLXZAKMCQPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c17-13-6-10-15(11-7-13)20-14-8-4-12(5-9-14)2-1-3-16(18)19/h4-11H,3,17H2,(H2,18,19).
What are the key properties of 4-[4-(4-aminophenoxy)phenyl]but-3-ynamide?
4-[4-(4-aminophenoxy)phenyl]but-3-ynamide has a molecular weight of 266.30 g/mol, XLogP of 2.29, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-aminophenoxy)phenyl]but-3-ynamide is sourced from PubChem (CID 170474044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).