(E)-4-(dimethylamino)-N-[3-(4-fluorophenyl)-3-hydroxycyclobutyl]but-2-enamide

C16H21FN2O2 — CID 146100793

IUPAC(E)-4-(dimethylamino)-N-[3-(4-fluorophenyl)-3-hydroxycyclobutyl]but-2-enamide
SMILESCN(C)C/C=C/C(=O)NC1CC(O)(c2ccc(F)cc2)C1
InChIInChI=1S/C16H21FN2O2/c1-19(2)9-3-4-15(20)18-14-10-16(21,11-14)12-5-7-13(17)8-6-12/h3-8,14,21H,9-11H2,1-2H3,(H,18,20)/b4-3+
InChIKeyPVSVQZXGOPIMIK-ONEGZZNKSA-N
MW292.35 g/mol
LogP1.41
Rot. Bonds5

About (E)-4-(dimethylamino)-N-[3-(4-fluorophenyl)-3-hydroxycyclobutyl]but-2-enamide

(E)-4-(dimethylamino)-N-[3-(4-fluorophenyl)-3-hydroxycyclobutyl]but-2-enamide (PubChem CID 146100793) has the molecular formula C16H21FN2O2 and a molecular weight of 292.35 g/mol. Its IUPAC name is (E)-4-(dimethylamino)-N-[3-(4-fluorophenyl)-3-hydroxycyclobutyl]but-2-enamide.

Molecular Properties

Compound Name(E)-4-(dimethylamino)-N-[3-(4-fluorophenyl)-3-hydroxycyclobutyl]but-2-enamide
PubChem CID146100793
Molecular FormulaC16H21FN2O2
Molecular Weight292.35 g/mol
Exact Mass292.16
IUPAC Name(E)-4-(dimethylamino)-N-[3-(4-fluorophenyl)-3-hydroxycyclobutyl]but-2-enamide
SMILESCN(C)C/C=C/C(=O)NC1CC(O)(c2ccc(F)cc2)C1
InChIInChI=1S/C16H21FN2O2/c1-19(2)9-3-4-15(20)18-14-10-16(21,11-14)12-5-7-13(17)8-6-12/h3-8,14,21H,9-11H2,1-2H3,(H,18,20)/b4-3+
InChIKeyPVSVQZXGOPIMIK-ONEGZZNKSA-N
XLogP1.41
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-4-(dimethylamino)-N-[3-(4-fluorophenyl)-3-hydroxycyclobutyl]but-2-enamide?
The IUPAC name of (E)-4-(dimethylamino)-N-[3-(4-fluorophenyl)-3-hydroxycyclobutyl]but-2-enamide (CID 146100793) is (E)-4-(dimethylamino)-N-[3-(4-fluorophenyl)-3-hydroxycyclobutyl]but-2-enamide.
What is the SMILES notation for (E)-4-(dimethylamino)-N-[3-(4-fluorophenyl)-3-hydroxycyclobutyl]but-2-enamide?
The canonical SMILES for (E)-4-(dimethylamino)-N-[3-(4-fluorophenyl)-3-hydroxycyclobutyl]but-2-enamide is CN(C)C/C=C/C(=O)NC1CC(O)(c2ccc(F)cc2)C1.
What is the InChIKey of (E)-4-(dimethylamino)-N-[3-(4-fluorophenyl)-3-hydroxycyclobutyl]but-2-enamide?
The InChIKey is PVSVQZXGOPIMIK-ONEGZZNKSA-N. The full InChI is InChI=1S/C16H21FN2O2/c1-19(2)9-3-4-15(20)18-14-10-16(21,11-14)12-5-7-13(17)8-6-12/h3-8,14,21H,9-11H2,1-2H3,(H,18,20)/b4-3+.
What are the key properties of (E)-4-(dimethylamino)-N-[3-(4-fluorophenyl)-3-hydroxycyclobutyl]but-2-enamide?
(E)-4-(dimethylamino)-N-[3-(4-fluorophenyl)-3-hydroxycyclobutyl]but-2-enamide has a molecular weight of 292.35 g/mol, XLogP of 1.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(dimethylamino)-N-[3-(4-fluorophenyl)-3-hydroxycyclobutyl]but-2-enamide is sourced from PubChem (CID 146100793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).