1-phenyl-N-(3-phenylprop-2-ynyl)cyclobutane-1-carboxamide

C20H19NO — CID 24669113

IUPAC1-phenyl-N-(3-phenylprop-2-ynyl)cyclobutane-1-carboxamide
SMILESO=C(NCC#Cc1ccccc1)C1(c2ccccc2)CCC1
InChIInChI=1S/C20H19NO/c22-19(21-16-7-11-17-9-3-1-4-10-17)20(14-8-15-20)18-12-5-2-6-13-18/h1-6,9-10,12-13H,8,14-16H2,(H,21,22)
InChIKeyPVCKYAXCLHMNQO-UHFFFAOYSA-N
MW289.38 g/mol
LogP3.28
Rot. Bonds3

About 1-phenyl-N-(3-phenylprop-2-ynyl)cyclobutane-1-carboxamide

1-phenyl-N-(3-phenylprop-2-ynyl)cyclobutane-1-carboxamide (PubChem CID 24669113) has the molecular formula C20H19NO and a molecular weight of 289.38 g/mol. Its IUPAC name is 1-phenyl-N-(3-phenylprop-2-ynyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-phenyl-N-(3-phenylprop-2-ynyl)cyclobutane-1-carboxamide
PubChem CID24669113
Molecular FormulaC20H19NO
Molecular Weight289.38 g/mol
Exact Mass289.15
IUPAC Name1-phenyl-N-(3-phenylprop-2-ynyl)cyclobutane-1-carboxamide
SMILESO=C(NCC#Cc1ccccc1)C1(c2ccccc2)CCC1
InChIInChI=1S/C20H19NO/c22-19(21-16-7-11-17-9-3-1-4-10-17)20(14-8-15-20)18-12-5-2-6-13-18/h1-6,9-10,12-13H,8,14-16H2,(H,21,22)
InChIKeyPVCKYAXCLHMNQO-UHFFFAOYSA-N
XLogP3.28
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 78841149
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CID 51113044
N-[3-(4-carbamoylphenyl)prop-2-ynyl]-4-phenyloxane-4-carboxamide
CID 90549908
1-phenyl-N-prop-2-ynylcyclopentane-1-carboxamide
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N-ethyl-1-phenylcyclopentane-1-carboxamide
CID 778764
N-[2-(2-methylpropanoylamino)ethyl]-1-phenylcyclobutane-1-carboxamide
CID 24666491
2-methyl-3-[(1-phenylcyclobutanecarbonyl)amino]propanoic acid
CID 55105160
N-(2-aminoethyl)-1-phenylcyclobutane-1-carboxamide;hydrochloride
CID 119383117
N-(cyclopropylmethyl)-1-phenylcyclobutane-1-carboxamide
CID 34832176
N-(2,2-dimethylpropyl)-1-phenylcyclohexane-1-carboxamide
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CID 110473789

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-(3-phenylprop-2-ynyl)cyclobutane-1-carboxamide?
The IUPAC name of 1-phenyl-N-(3-phenylprop-2-ynyl)cyclobutane-1-carboxamide (CID 24669113) is 1-phenyl-N-(3-phenylprop-2-ynyl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-phenyl-N-(3-phenylprop-2-ynyl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-phenyl-N-(3-phenylprop-2-ynyl)cyclobutane-1-carboxamide is O=C(NCC#Cc1ccccc1)C1(c2ccccc2)CCC1.
What is the InChIKey of 1-phenyl-N-(3-phenylprop-2-ynyl)cyclobutane-1-carboxamide?
The InChIKey is PVCKYAXCLHMNQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO/c22-19(21-16-7-11-17-9-3-1-4-10-17)20(14-8-15-20)18-12-5-2-6-13-18/h1-6,9-10,12-13H,8,14-16H2,(H,21,22).
What are the key properties of 1-phenyl-N-(3-phenylprop-2-ynyl)cyclobutane-1-carboxamide?
1-phenyl-N-(3-phenylprop-2-ynyl)cyclobutane-1-carboxamide has a molecular weight of 289.38 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-(3-phenylprop-2-ynyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 24669113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).