N-[2-(3-ethyl-3-methyl-2-phenylcyclobuten-1-yl)phenyl]acetamide

C21H23NO — CID 166063894

IUPACN-[2-(3-ethyl-3-methyl-2-phenylcyclobuten-1-yl)phenyl]acetamide
SMILESCCC1(C)CC(c2ccccc2NC(C)=O)=C1c1ccccc1
InChIInChI=1S/C21H23NO/c1-4-21(3)14-18(20(21)16-10-6-5-7-11-16)17-12-8-9-13-19(17)22-15(2)23/h5-13H,4,14H2,1-3H3,(H,22,23)
InChIKeyZOZAKTFFMPLLIB-UHFFFAOYSA-N
MW305.42 g/mol
LogP5.38
Rot. Bonds4

About N-[2-(3-ethyl-3-methyl-2-phenylcyclobuten-1-yl)phenyl]acetamide

N-[2-(3-ethyl-3-methyl-2-phenylcyclobuten-1-yl)phenyl]acetamide (PubChem CID 166063894) has the molecular formula C21H23NO and a molecular weight of 305.42 g/mol. Its IUPAC name is N-[2-(3-ethyl-3-methyl-2-phenylcyclobuten-1-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[2-(3-ethyl-3-methyl-2-phenylcyclobuten-1-yl)phenyl]acetamide
PubChem CID166063894
Molecular FormulaC21H23NO
Molecular Weight305.42 g/mol
Exact Mass305.18
IUPAC NameN-[2-(3-ethyl-3-methyl-2-phenylcyclobuten-1-yl)phenyl]acetamide
SMILESCCC1(C)CC(c2ccccc2NC(C)=O)=C1c1ccccc1
InChIInChI=1S/C21H23NO/c1-4-21(3)14-18(20(21)16-10-6-5-7-11-16)17-12-8-9-13-19(17)22-15(2)23/h5-13H,4,14H2,1-3H3,(H,22,23)
InChIKeyZOZAKTFFMPLLIB-UHFFFAOYSA-N
XLogP5.38
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.42
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3,3-dimethyl-2-phenylcyclobuten-1-yl)phenyl]-2-methylpropanamide
CID 166063906
N-[2-[2-(3-chlorophenyl)-3,3-dimethylcyclobuten-1-yl]phenyl]acetamide
CID 166063904
N-(2-phenylphenyl)acetamide;propan-1-ol
CID 175030859
N-[4-bromo-2-(3,3-dimethyl-2-phenylcyclobuten-1-yl)phenyl]acetamide
CID 166063928
N-[2-(3,3-dimethyl-2-phenylcyclobuten-1-yl)-4-(trifluoromethyl)phenyl]acetamide
CID 166063893
N-(3-acetamidoazulen-1-yl)acetamide
CID 86151929
acetic acid;1,1'-biphenyl;zinc
CID 70522083
N-(2-acetamidophenyl)propanamide
CID 885895
3-oxo-3-(2-phenylanilino)propanoic acid
CID 62230897
[1-acetyloxy-2-oxo-2-(2-phenylanilino)ethyl] acetate
CID 11500814
(2S)-2-acetamido-N-(2-phenylphenyl)propanamide
CID 95234854
N-[2-(2-methylbutanethioylamino)phenyl]acetamide
CID 170206762

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-ethyl-3-methyl-2-phenylcyclobuten-1-yl)phenyl]acetamide?
The IUPAC name of N-[2-(3-ethyl-3-methyl-2-phenylcyclobuten-1-yl)phenyl]acetamide (CID 166063894) is N-[2-(3-ethyl-3-methyl-2-phenylcyclobuten-1-yl)phenyl]acetamide.
What is the SMILES notation for N-[2-(3-ethyl-3-methyl-2-phenylcyclobuten-1-yl)phenyl]acetamide?
The canonical SMILES for N-[2-(3-ethyl-3-methyl-2-phenylcyclobuten-1-yl)phenyl]acetamide is CCC1(C)CC(c2ccccc2NC(C)=O)=C1c1ccccc1.
What is the InChIKey of N-[2-(3-ethyl-3-methyl-2-phenylcyclobuten-1-yl)phenyl]acetamide?
The InChIKey is ZOZAKTFFMPLLIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO/c1-4-21(3)14-18(20(21)16-10-6-5-7-11-16)17-12-8-9-13-19(17)22-15(2)23/h5-13H,4,14H2,1-3H3,(H,22,23).
What are the key properties of N-[2-(3-ethyl-3-methyl-2-phenylcyclobuten-1-yl)phenyl]acetamide?
N-[2-(3-ethyl-3-methyl-2-phenylcyclobuten-1-yl)phenyl]acetamide has a molecular weight of 305.42 g/mol, XLogP of 5.38, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-ethyl-3-methyl-2-phenylcyclobuten-1-yl)phenyl]acetamide is sourced from PubChem (CID 166063894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).