2-[2-(furan-2-yl)ethenyl]-4-oxo-N,1-bis(4-propan-2-ylphenyl)azetidine-2-carboxamide

C28H30N2O3 — CID 3771667

IUPAC2-[2-(furan-2-yl)ethenyl]-4-oxo-N,1-bis(4-propan-2-ylphenyl)azetidine-2-carboxamide
SMILESCC(C)c1ccc(NC(=O)C2(C=Cc3ccco3)CC(=O)N2c2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C28H30N2O3/c1-19(2)21-7-11-23(12-8-21)29-27(32)28(16-15-25-6-5-17-33-25)18-26(31)30(28)24-13-9-22(10-14-24)20(3)4/h5-17,19-20H,18H2,1-4H3,(H,29,32)
InChIKeyHYLMBXMYYAVLAI-UHFFFAOYSA-N
MW442.56 g/mol
LogP6.35
Rot. Bonds7

About 2-[2-(furan-2-yl)ethenyl]-4-oxo-N,1-bis(4-propan-2-ylphenyl)azetidine-2-carboxamide

2-[2-(furan-2-yl)ethenyl]-4-oxo-N,1-bis(4-propan-2-ylphenyl)azetidine-2-carboxamide (PubChem CID 3771667) has the molecular formula C28H30N2O3 and a molecular weight of 442.56 g/mol. Its IUPAC name is 2-[2-(furan-2-yl)ethenyl]-4-oxo-N,1-bis(4-propan-2-ylphenyl)azetidine-2-carboxamide.

Molecular Properties

Compound Name2-[2-(furan-2-yl)ethenyl]-4-oxo-N,1-bis(4-propan-2-ylphenyl)azetidine-2-carboxamide
PubChem CID3771667
Molecular FormulaC28H30N2O3
Molecular Weight442.56 g/mol
Exact Mass442.23
IUPAC Name2-[2-(furan-2-yl)ethenyl]-4-oxo-N,1-bis(4-propan-2-ylphenyl)azetidine-2-carboxamide
SMILESCC(C)c1ccc(NC(=O)C2(C=Cc3ccco3)CC(=O)N2c2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C28H30N2O3/c1-19(2)21-7-11-23(12-8-21)29-27(32)28(16-15-25-6-5-17-33-25)18-26(31)30(28)24-13-9-22(10-14-24)20(3)4/h5-17,19-20H,18H2,1-4H3,(H,29,32)
InChIKeyHYLMBXMYYAVLAI-UHFFFAOYSA-N
XLogP6.35
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.56
LogP ≤ 56.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-cyclohexyl-4-oxo-2-[(E)-2-phenylethenyl]-1-(4-propan-2-ylphenyl)azetidine-2-carboxamide
CID 1468011
(2R)-N-cyclohexyl-2-[(E)-2-(2-methoxyphenyl)ethenyl]-4-oxo-1-(4-propan-2-ylphenyl)azetidine-2-carboxamide
CID 1468017
N,1-bis(1-adamantyl)-2-[2-(furan-2-yl)ethenyl]-4-oxoazetidine-2-carboxamide
CID 3698247
2-[(E)-2-(4-propan-2-ylphenyl)ethenyl]furan
CID 100992434
(E)-3-(furan-2-yl)-N-[5-[(4-propan-2-ylphenyl)methyl]-1,3-thiazol-2-yl]prop-2-enamide
CID 6058474
(2E,4E)-5-(furan-2-yl)-1-(4-propan-2-ylphenyl)penta-2,4-dien-1-one
CID 19557375
1-[(Z)-N'-hydroxycarbamimidoyl]-N-(4-propan-2-ylphenyl)cyclobutane-1-carboxamide
CID 80591266
(E)-N-[4-(4-acetylpiperazin-1-yl)phenyl]-3-(furan-2-yl)prop-2-enamide
CID 954608
N-[4-[(4-propan-2-ylbenzoyl)amino]phenyl]furan-2-carboxamide
CID 1114254
N,1-bis(4-chlorophenyl)-4-oxo-2-(1-phenylprop-1-en-2-yl)azetidine-2-carboxamide
CID 3738849
1-amino-N-(4-propan-2-ylphenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119262760
3-(furan-2-yl)-1-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]prop-2-en-1-one
CID 78288616

Frequently Asked Questions

What is the IUPAC name of 2-[2-(furan-2-yl)ethenyl]-4-oxo-N,1-bis(4-propan-2-ylphenyl)azetidine-2-carboxamide?
The IUPAC name of 2-[2-(furan-2-yl)ethenyl]-4-oxo-N,1-bis(4-propan-2-ylphenyl)azetidine-2-carboxamide (CID 3771667) is 2-[2-(furan-2-yl)ethenyl]-4-oxo-N,1-bis(4-propan-2-ylphenyl)azetidine-2-carboxamide.
What is the SMILES notation for 2-[2-(furan-2-yl)ethenyl]-4-oxo-N,1-bis(4-propan-2-ylphenyl)azetidine-2-carboxamide?
The canonical SMILES for 2-[2-(furan-2-yl)ethenyl]-4-oxo-N,1-bis(4-propan-2-ylphenyl)azetidine-2-carboxamide is CC(C)c1ccc(NC(=O)C2(C=Cc3ccco3)CC(=O)N2c2ccc(C(C)C)cc2)cc1.
What is the InChIKey of 2-[2-(furan-2-yl)ethenyl]-4-oxo-N,1-bis(4-propan-2-ylphenyl)azetidine-2-carboxamide?
The InChIKey is HYLMBXMYYAVLAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N2O3/c1-19(2)21-7-11-23(12-8-21)29-27(32)28(16-15-25-6-5-17-33-25)18-26(31)30(28)24-13-9-22(10-14-24)20(3)4/h5-17,19-20H,18H2,1-4H3,(H,29,32).
What are the key properties of 2-[2-(furan-2-yl)ethenyl]-4-oxo-N,1-bis(4-propan-2-ylphenyl)azetidine-2-carboxamide?
2-[2-(furan-2-yl)ethenyl]-4-oxo-N,1-bis(4-propan-2-ylphenyl)azetidine-2-carboxamide has a molecular weight of 442.56 g/mol, XLogP of 6.35, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(furan-2-yl)ethenyl]-4-oxo-N,1-bis(4-propan-2-ylphenyl)azetidine-2-carboxamide is sourced from PubChem (CID 3771667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).