N-[(3S)-2-oxooxolan-3-yl]-6-phenylhexanamide

C16H21NO3 — CID 25258810

IUPACN-[(3S)-2-oxooxolan-3-yl]-6-phenylhexanamide
SMILESO=C(CCCCCc1ccccc1)N[C@H]1CCOC1=O
InChIInChI=1S/C16H21NO3/c18-15(17-14-11-12-20-16(14)19)10-6-2-5-9-13-7-3-1-4-8-13/h1,3-4,7-8,14H,2,5-6,9-12H2,(H,17,18)/t14-/m0/s1
InChIKeyLAFPUTFLRIMXEA-AWEZNQCLSA-N
MW275.35 g/mol
LogP2.22
Rot. Bonds7

About N-[(3S)-2-oxooxolan-3-yl]-6-phenylhexanamide

N-[(3S)-2-oxooxolan-3-yl]-6-phenylhexanamide (PubChem CID 25258810) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-[(3S)-2-oxooxolan-3-yl]-6-phenylhexanamide.

Molecular Properties

Compound NameN-[(3S)-2-oxooxolan-3-yl]-6-phenylhexanamide
PubChem CID25258810
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC NameN-[(3S)-2-oxooxolan-3-yl]-6-phenylhexanamide
SMILESO=C(CCCCCc1ccccc1)N[C@H]1CCOC1=O
InChIInChI=1S/C16H21NO3/c18-15(17-14-11-12-20-16(14)19)10-6-2-5-9-13-7-3-1-4-8-13/h1,3-4,7-8,14H,2,5-6,9-12H2,(H,17,18)/t14-/m0/s1
InChIKeyLAFPUTFLRIMXEA-AWEZNQCLSA-N
XLogP2.22
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(3S)-2-oxooxolan-3-yl]-6-phenylhexanamide 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

6-oxo-6-[(2-oxooxolan-3-yl)amino]hexanoic acid
CID 65418345
N-[(1S)-2-oxocyclobutyl]-5-phenylpentanamide
CID 158433949
N-[(3R)-2-oxooxolan-3-yl]tetradecanamide
CID 98125839
N-[(3S)-2-oxooxolan-3-yl]heptadecanamide
CID 68865340
3-oxo-N-[(3R)-2-oxooxolan-3-yl]-4-phenylbutanamide
CID 11499897
5-bromo-N-(2-oxooxolan-3-yl)pentanamide
CID 107907304
N-[(3R)-2-oxoazetidin-3-yl]-7-phenylheptanamide
CID 86273754
(E)-N-[(3S)-2-oxooxolan-3-yl]hexadec-8-enamide
CID 11638617
(Z)-N-(2-oxooxolan-3-yl)tetradec-7-enamide
CID 90324396
6-phenyl-N-piperidin-4-ylhexanamide
CID 154665785
3-(2-phenylethylamino)oxolan-2-one
CID 43823897
N-(2-oxooxolan-3-yl)-2-(4-phenylmethoxyphenoxy)acetamide
CID 2998651

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-2-oxooxolan-3-yl]-6-phenylhexanamide?
The IUPAC name of N-[(3S)-2-oxooxolan-3-yl]-6-phenylhexanamide (CID 25258810) is N-[(3S)-2-oxooxolan-3-yl]-6-phenylhexanamide.
What is the SMILES notation for N-[(3S)-2-oxooxolan-3-yl]-6-phenylhexanamide?
The canonical SMILES for N-[(3S)-2-oxooxolan-3-yl]-6-phenylhexanamide is O=C(CCCCCc1ccccc1)N[C@H]1CCOC1=O.
What is the InChIKey of N-[(3S)-2-oxooxolan-3-yl]-6-phenylhexanamide?
The InChIKey is LAFPUTFLRIMXEA-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H21NO3/c18-15(17-14-11-12-20-16(14)19)10-6-2-5-9-13-7-3-1-4-8-13/h1,3-4,7-8,14H,2,5-6,9-12H2,(H,17,18)/t14-/m0/s1.
What are the key properties of N-[(3S)-2-oxooxolan-3-yl]-6-phenylhexanamide?
N-[(3S)-2-oxooxolan-3-yl]-6-phenylhexanamide has a molecular weight of 275.35 g/mol, XLogP of 2.22, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-2-oxooxolan-3-yl]-6-phenylhexanamide is sourced from PubChem (CID 25258810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).