4-[3-oxo-3-[(3-phenylcyclobutyl)amino]prop-1-enyl]benzamide

C20H20N2O2 — CID 91943068

IUPAC4-[3-oxo-3-[(3-phenylcyclobutyl)amino]prop-1-enyl]benzamide
SMILESNC(=O)c1ccc(C=CC(=O)NC2CC(c3ccccc3)C2)cc1
InChIInChI=1S/C20H20N2O2/c21-20(24)16-9-6-14(7-10-16)8-11-19(23)22-18-12-17(13-18)15-4-2-1-3-5-15/h1-11,17-18H,12-13H2,(H2,21,24)(H,22,23)
InChIKeyBBROCKKNJYZZGZ-UHFFFAOYSA-N
MW320.39 g/mol
LogP2.86
Rot. Bonds5

About 4-[3-oxo-3-[(3-phenylcyclobutyl)amino]prop-1-enyl]benzamide

4-[3-oxo-3-[(3-phenylcyclobutyl)amino]prop-1-enyl]benzamide (PubChem CID 91943068) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is 4-[3-oxo-3-[(3-phenylcyclobutyl)amino]prop-1-enyl]benzamide.

Molecular Properties

Compound Name4-[3-oxo-3-[(3-phenylcyclobutyl)amino]prop-1-enyl]benzamide
PubChem CID91943068
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC Name4-[3-oxo-3-[(3-phenylcyclobutyl)amino]prop-1-enyl]benzamide
SMILESNC(=O)c1ccc(C=CC(=O)NC2CC(c3ccccc3)C2)cc1
InChIInChI=1S/C20H20N2O2/c21-20(24)16-9-6-14(7-10-16)8-11-19(23)22-18-12-17(13-18)15-4-2-1-3-5-15/h1-11,17-18H,12-13H2,(H2,21,24)(H,22,23)
InChIKeyBBROCKKNJYZZGZ-UHFFFAOYSA-N
XLogP2.86
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[(E)-3-oxo-3-[(3-phenylcyclobutyl)amino]prop-1-enyl]benzamide
CID 75423907
4-(3-anilino-3-oxoprop-1-enyl)benzamide
CID 77047630
(E)-3-(4-aminophenyl)-N-(2-phenylcyclopropyl)prop-2-enamide
CID 115343841
(E)-N-cycloheptyl-3-phenylprop-2-enamide
CID 6027758
3-(3-phenylprop-2-enoylamino)cyclopentane-1-carboxylic acid
CID 77110063
4-[3-[(3-hydroxycyclobutyl)methylamino]-3-oxoprop-1-enyl]benzamide
CID 77109915
3-(4-bromophenyl)-N-(3-hydroxycyclobutyl)prop-2-enamide
CID 77109962
(E)-N-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]dioxin-6-yl)-3-phenylprop-2-enamide
CID 91815978
4-(3-phenylprop-2-enoylamino)cyclopent-2-ene-1-carboxylic acid
CID 79209369
4-[(E)-3-(cycloheptylamino)-3-oxoprop-1-enyl]-N-cyclopropylbenzamide
CID 35559791
N-(2-aminophenyl)-4-[3-(2,3-dihydro-1H-inden-2-ylamino)-3-oxoprop-1-enyl]benzamide
CID 68977988
(E)-3-phenyl-N-[(1S,2S)-2-[[(E)-3-phenylprop-2-enoyl]amino]cyclohexyl]prop-2-enamide
CID 1334632

Frequently Asked Questions

What is the IUPAC name of 4-[3-oxo-3-[(3-phenylcyclobutyl)amino]prop-1-enyl]benzamide?
The IUPAC name of 4-[3-oxo-3-[(3-phenylcyclobutyl)amino]prop-1-enyl]benzamide (CID 91943068) is 4-[3-oxo-3-[(3-phenylcyclobutyl)amino]prop-1-enyl]benzamide.
What is the SMILES notation for 4-[3-oxo-3-[(3-phenylcyclobutyl)amino]prop-1-enyl]benzamide?
The canonical SMILES for 4-[3-oxo-3-[(3-phenylcyclobutyl)amino]prop-1-enyl]benzamide is NC(=O)c1ccc(C=CC(=O)NC2CC(c3ccccc3)C2)cc1.
What is the InChIKey of 4-[3-oxo-3-[(3-phenylcyclobutyl)amino]prop-1-enyl]benzamide?
The InChIKey is BBROCKKNJYZZGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2/c21-20(24)16-9-6-14(7-10-16)8-11-19(23)22-18-12-17(13-18)15-4-2-1-3-5-15/h1-11,17-18H,12-13H2,(H2,21,24)(H,22,23).
What are the key properties of 4-[3-oxo-3-[(3-phenylcyclobutyl)amino]prop-1-enyl]benzamide?
4-[3-oxo-3-[(3-phenylcyclobutyl)amino]prop-1-enyl]benzamide has a molecular weight of 320.39 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-oxo-3-[(3-phenylcyclobutyl)amino]prop-1-enyl]benzamide is sourced from PubChem (CID 91943068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).