N-[(2-oxoazetidin-3-ylidene)methyl]-6-phenylhexanamide

C16H20N2O2 — CID 123281150

IUPACN-[(2-oxoazetidin-3-ylidene)methyl]-6-phenylhexanamide
SMILESO=C(CCCCCc1ccccc1)NC=C1CNC1=O
InChIInChI=1S/C16H20N2O2/c19-15(17-11-14-12-18-16(14)20)10-6-2-5-9-13-7-3-1-4-8-13/h1,3-4,7-8,11H,2,5-6,9-10,12H2,(H,17,19)(H,18,20)
InChIKeyWXPNYSCCMBYCJB-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.92
Rot. Bonds7

About N-[(2-oxoazetidin-3-ylidene)methyl]-6-phenylhexanamide

N-[(2-oxoazetidin-3-ylidene)methyl]-6-phenylhexanamide (PubChem CID 123281150) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is N-[(2-oxoazetidin-3-ylidene)methyl]-6-phenylhexanamide.

Molecular Properties

Compound NameN-[(2-oxoazetidin-3-ylidene)methyl]-6-phenylhexanamide
PubChem CID123281150
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC NameN-[(2-oxoazetidin-3-ylidene)methyl]-6-phenylhexanamide
SMILESO=C(CCCCCc1ccccc1)NC=C1CNC1=O
InChIInChI=1S/C16H20N2O2/c19-15(17-11-14-12-18-16(14)20)10-6-2-5-9-13-7-3-1-4-8-13/h1,3-4,7-8,11H,2,5-6,9-10,12H2,(H,17,19)(H,18,20)
InChIKeyWXPNYSCCMBYCJB-UHFFFAOYSA-N
XLogP1.92
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(3R)-2-oxoazetidin-3-yl]-7-phenylheptanamide
CID 86273754
N-methyl-9-phenylnonanamide
CID 118028570
N-ethyl-6-phenylhexanamide
CID 70953257
N-hydroxy-6-phenylhexanamide;thiohydroxylamine
CID 142086803
15-phenylpentadecanoic acid
CID 2737151
N-[(1R)-2-hydroxy-1-phenylethyl]-5-phenylpentanamide
CID 59924200
6-phenyl-N-piperidin-4-ylhexanamide
CID 154665785
2-oxo-3-(6-phenylhexanoylamino)propanoic acid
CID 59565788
1,9-diphenylnonan-5-one
CID 23467830
N,N'-bis[2-(3-phenylpropoxy)phenyl]decanediamide
CID 17131518
N-[(1S)-2-oxocyclobutyl]-5-phenylpentanamide
CID 158433949
N-methyl-4-[4-(4-phenylbutyl)phenyl]butanamide
CID 58974296

Frequently Asked Questions

What is the IUPAC name of N-[(2-oxoazetidin-3-ylidene)methyl]-6-phenylhexanamide?
The IUPAC name of N-[(2-oxoazetidin-3-ylidene)methyl]-6-phenylhexanamide (CID 123281150) is N-[(2-oxoazetidin-3-ylidene)methyl]-6-phenylhexanamide.
What is the SMILES notation for N-[(2-oxoazetidin-3-ylidene)methyl]-6-phenylhexanamide?
The canonical SMILES for N-[(2-oxoazetidin-3-ylidene)methyl]-6-phenylhexanamide is O=C(CCCCCc1ccccc1)NC=C1CNC1=O.
What is the InChIKey of N-[(2-oxoazetidin-3-ylidene)methyl]-6-phenylhexanamide?
The InChIKey is WXPNYSCCMBYCJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c19-15(17-11-14-12-18-16(14)20)10-6-2-5-9-13-7-3-1-4-8-13/h1,3-4,7-8,11H,2,5-6,9-10,12H2,(H,17,19)(H,18,20).
What are the key properties of N-[(2-oxoazetidin-3-ylidene)methyl]-6-phenylhexanamide?
N-[(2-oxoazetidin-3-ylidene)methyl]-6-phenylhexanamide has a molecular weight of 272.35 g/mol, XLogP of 1.92, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-oxoazetidin-3-ylidene)methyl]-6-phenylhexanamide is sourced from PubChem (CID 123281150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).