(E)-N-[(1-phenylcyclobutyl)methyl]but-2-enamide

C15H19NO — CID 110477964

IUPAC(E)-N-[(1-phenylcyclobutyl)methyl]but-2-enamide
SMILESC/C=C/C(=O)NCC1(c2ccccc2)CCC1
InChIInChI=1S/C15H19NO/c1-2-7-14(17)16-12-15(10-6-11-15)13-8-4-3-5-9-13/h2-5,7-9H,6,10-12H2,1H3,(H,16,17)/b7-2+
InChIKeyVCZURGHGKBWOAL-FARCUNLSSA-N
MW229.32 g/mol
LogP2.80
Rot. Bonds4

About (E)-N-[(1-phenylcyclobutyl)methyl]but-2-enamide

(E)-N-[(1-phenylcyclobutyl)methyl]but-2-enamide (PubChem CID 110477964) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is (E)-N-[(1-phenylcyclobutyl)methyl]but-2-enamide.

Molecular Properties

Compound Name(E)-N-[(1-phenylcyclobutyl)methyl]but-2-enamide
PubChem CID110477964
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name(E)-N-[(1-phenylcyclobutyl)methyl]but-2-enamide
SMILESC/C=C/C(=O)NCC1(c2ccccc2)CCC1
InChIInChI=1S/C15H19NO/c1-2-7-14(17)16-12-15(10-6-11-15)13-8-4-3-5-9-13/h2-5,7-9H,6,10-12H2,1H3,(H,16,17)/b7-2+
InChIKeyVCZURGHGKBWOAL-FARCUNLSSA-N
XLogP2.80
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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Brn 2646116
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N-(1-Methyl-3-phenylpropyl)acetamide
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N-(2-Phenylethyl)propanamide
CID 94894
N-Benzylacrylamide
CID 139428
N-(2-Phenylethyl)-isobutyramide
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CID 824800
2-methyl-N-(3-phenylpropyl)propanamide
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N-(3,3-diphenylpropyl)acetamide
CID 5151463

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(1-phenylcyclobutyl)methyl]but-2-enamide?
The IUPAC name of (E)-N-[(1-phenylcyclobutyl)methyl]but-2-enamide (CID 110477964) is (E)-N-[(1-phenylcyclobutyl)methyl]but-2-enamide.
What is the SMILES notation for (E)-N-[(1-phenylcyclobutyl)methyl]but-2-enamide?
The canonical SMILES for (E)-N-[(1-phenylcyclobutyl)methyl]but-2-enamide is C/C=C/C(=O)NCC1(c2ccccc2)CCC1.
What is the InChIKey of (E)-N-[(1-phenylcyclobutyl)methyl]but-2-enamide?
The InChIKey is VCZURGHGKBWOAL-FARCUNLSSA-N. The full InChI is InChI=1S/C15H19NO/c1-2-7-14(17)16-12-15(10-6-11-15)13-8-4-3-5-9-13/h2-5,7-9H,6,10-12H2,1H3,(H,16,17)/b7-2+.
What are the key properties of (E)-N-[(1-phenylcyclobutyl)methyl]but-2-enamide?
(E)-N-[(1-phenylcyclobutyl)methyl]but-2-enamide has a molecular weight of 229.32 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(1-phenylcyclobutyl)methyl]but-2-enamide is sourced from PubChem (CID 110477964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).