N-[(3R)-2-oxoazetidin-3-yl]-7-phenylheptanamide

C16H22N2O2 — CID 86273754

IUPACN-[(3R)-2-oxoazetidin-3-yl]-7-phenylheptanamide
SMILESO=C(CCCCCCc1ccccc1)N[C@@H]1CNC1=O
InChIInChI=1S/C16H22N2O2/c19-15(18-14-12-17-16(14)20)11-7-2-1-4-8-13-9-5-3-6-10-13/h3,5-6,9-10,14H,1-2,4,7-8,11-12H2,(H,17,20)(H,18,19)/t14-/m1/s1
InChIKeyVYOXYWYRWZZCIM-CQSZACIVSA-N
MW274.36 g/mol
LogP1.79
Rot. Bonds8

About N-[(3R)-2-oxoazetidin-3-yl]-7-phenylheptanamide

N-[(3R)-2-oxoazetidin-3-yl]-7-phenylheptanamide (PubChem CID 86273754) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is N-[(3R)-2-oxoazetidin-3-yl]-7-phenylheptanamide.

Molecular Properties

Compound NameN-[(3R)-2-oxoazetidin-3-yl]-7-phenylheptanamide
PubChem CID86273754
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC NameN-[(3R)-2-oxoazetidin-3-yl]-7-phenylheptanamide
SMILESO=C(CCCCCCc1ccccc1)N[C@@H]1CNC1=O
InChIInChI=1S/C16H22N2O2/c19-15(18-14-12-17-16(14)20)11-7-2-1-4-8-13-9-5-3-6-10-13/h3,5-6,9-10,14H,1-2,4,7-8,11-12H2,(H,17,20)(H,18,19)/t14-/m1/s1
InChIKeyVYOXYWYRWZZCIM-CQSZACIVSA-N
XLogP1.79
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(1S)-2-oxocyclobutyl]-5-phenylpentanamide
CID 158433949
(2S,4S)-5-oxo-4-(4-phenylbutanoylamino)pyrrolidine-2-carboxylic acid
CID 102273253
N-[(3S)-2-oxooxolan-3-yl]-6-phenylhexanamide
CID 25258810
6-phenyl-N-piperidin-4-ylhexanamide
CID 154665785
N-[(2-oxoazetidin-3-ylidene)methyl]-6-phenylhexanamide
CID 123281150
N-[(3R)-2-oxoazepan-3-yl]-3-phenylpropanamide
CID 92861083
6-cyclohexyl-N-(2-oxoazetidin-3-yl)hexanamide
CID 90426150
6-cyclohexyl-N-[(3S)-2-oxoazetidin-3-yl]hexanamide
CID 86273996
N-methyl-9-phenylnonanamide
CID 118028570
(2-oxoazetidin-3-yl)-(4-phenylbutyl)carbamic acid
CID 90425035
2-oxo-3-(6-phenylhexanoylamino)propanoic acid
CID 59565788
N-hydroxy-6-phenylhexanamide;thiohydroxylamine
CID 142086803

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-2-oxoazetidin-3-yl]-7-phenylheptanamide?
The IUPAC name of N-[(3R)-2-oxoazetidin-3-yl]-7-phenylheptanamide (CID 86273754) is N-[(3R)-2-oxoazetidin-3-yl]-7-phenylheptanamide.
What is the SMILES notation for N-[(3R)-2-oxoazetidin-3-yl]-7-phenylheptanamide?
The canonical SMILES for N-[(3R)-2-oxoazetidin-3-yl]-7-phenylheptanamide is O=C(CCCCCCc1ccccc1)N[C@@H]1CNC1=O.
What is the InChIKey of N-[(3R)-2-oxoazetidin-3-yl]-7-phenylheptanamide?
The InChIKey is VYOXYWYRWZZCIM-CQSZACIVSA-N. The full InChI is InChI=1S/C16H22N2O2/c19-15(18-14-12-17-16(14)20)11-7-2-1-4-8-13-9-5-3-6-10-13/h3,5-6,9-10,14H,1-2,4,7-8,11-12H2,(H,17,20)(H,18,19)/t14-/m1/s1.
What are the key properties of N-[(3R)-2-oxoazetidin-3-yl]-7-phenylheptanamide?
N-[(3R)-2-oxoazetidin-3-yl]-7-phenylheptanamide has a molecular weight of 274.36 g/mol, XLogP of 1.79, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-2-oxoazetidin-3-yl]-7-phenylheptanamide is sourced from PubChem (CID 86273754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).