(E)-N-(1-phenylcyclobutyl)but-2-enamide

C14H17NO — CID 110478044

IUPAC(E)-N-(1-phenylcyclobutyl)but-2-enamide
SMILESC/C=C/C(=O)NC1(c2ccccc2)CCC1
InChIInChI=1S/C14H17NO/c1-2-7-13(16)15-14(10-6-11-14)12-8-4-3-5-9-12/h2-5,7-9H,6,10-11H2,1H3,(H,15,16)/b7-2+
InChIKeyXDTNSEZSUKYNPD-FARCUNLSSA-N
MW215.30 g/mol
LogP2.76
Rot. Bonds3

About (E)-N-(1-phenylcyclobutyl)but-2-enamide

(E)-N-(1-phenylcyclobutyl)but-2-enamide (PubChem CID 110478044) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is (E)-N-(1-phenylcyclobutyl)but-2-enamide.

Molecular Properties

Compound Name(E)-N-(1-phenylcyclobutyl)but-2-enamide
PubChem CID110478044
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name(E)-N-(1-phenylcyclobutyl)but-2-enamide
SMILESC/C=C/C(=O)NC1(c2ccccc2)CCC1
InChIInChI=1S/C14H17NO/c1-2-7-13(16)15-14(10-6-11-14)12-8-4-3-5-9-12/h2-5,7-9H,6,10-11H2,1H3,(H,15,16)/b7-2+
InChIKeyXDTNSEZSUKYNPD-FARCUNLSSA-N
XLogP2.76
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (E)-N-(1-phenylcyclobutyl)but-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-N-[1-(4-fluorophenyl)cyclopropyl]but-2-enamide
CID 110478088
N-[1-(4-fluorophenyl)cyclopropyl]but-2-enamide
CID 91550957
(E)-3-(4-methoxyphenyl)-N-(1-phenylcyclobutyl)prop-2-enamide
CID 25470093
(E)-N-[1-(3-fluorophenyl)cyclopropyl]but-2-enamide
CID 110478087
(E)-3-(furan-2-yl)-N-(1-phenylcyclobutyl)prop-2-enamide
CID 51273013
(E)-N-[(1-phenylcyclobutyl)methyl]but-2-enamide
CID 110477964
(2R)-2-amino-N-(1-phenylcyclobutyl)propanamide
CID 119275385
N-cyclopropyl-4-[(E)-3-oxo-3-[(1-phenylcyclobutyl)amino]prop-1-enyl]benzamide
CID 39997247
1-methyl-1-phenyl-3-(1-phenylcyclobutyl)urea
CID 110469555
(E)-N-[1-[2-(trifluoromethyl)phenyl]cyclopropyl]but-2-enamide
CID 110478091
4-(methoxymethyl)-N-(1-phenylcyclobutyl)benzamide
CID 51273147
2-hydroxy-2-phenyl-N-(1-phenylcyclobutyl)acetamide
CID 110883240

Frequently Asked Questions

What is the IUPAC name of (E)-N-(1-phenylcyclobutyl)but-2-enamide?
The IUPAC name of (E)-N-(1-phenylcyclobutyl)but-2-enamide (CID 110478044) is (E)-N-(1-phenylcyclobutyl)but-2-enamide.
What is the SMILES notation for (E)-N-(1-phenylcyclobutyl)but-2-enamide?
The canonical SMILES for (E)-N-(1-phenylcyclobutyl)but-2-enamide is C/C=C/C(=O)NC1(c2ccccc2)CCC1.
What is the InChIKey of (E)-N-(1-phenylcyclobutyl)but-2-enamide?
The InChIKey is XDTNSEZSUKYNPD-FARCUNLSSA-N. The full InChI is InChI=1S/C14H17NO/c1-2-7-13(16)15-14(10-6-11-14)12-8-4-3-5-9-12/h2-5,7-9H,6,10-11H2,1H3,(H,15,16)/b7-2+.
What are the key properties of (E)-N-(1-phenylcyclobutyl)but-2-enamide?
(E)-N-(1-phenylcyclobutyl)but-2-enamide has a molecular weight of 215.30 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(1-phenylcyclobutyl)but-2-enamide is sourced from PubChem (CID 110478044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).