N-[(3S,5S)-5-(iodomethyl)-2-oxooxolan-3-yl]-3-oxotetradecanamide

C19H32INO4 — CID 72701819

IUPACN-[(3S,5S)-5-(iodomethyl)-2-oxooxolan-3-yl]-3-oxotetradecanamide
SMILESCCCCCCCCCCCC(=O)CC(=O)N[C@H]1C[C@@H](CI)OC1=O
InChIInChI=1S/C19H32INO4/c1-2-3-4-5-6-7-8-9-10-11-15(22)12-18(23)21-17-13-16(14-20)25-19(17)24/h16-17H,2-14H2,1H3,(H,21,23)/t16-,17-/m0/s1
InChIKeyHLHPPRDGRIFETH-IRXDYDNUSA-N
MW465.37 g/mol
LogP4.10
Rot. Bonds14

About N-[(3S,5S)-5-(iodomethyl)-2-oxooxolan-3-yl]-3-oxotetradecanamide

N-[(3S,5S)-5-(iodomethyl)-2-oxooxolan-3-yl]-3-oxotetradecanamide (PubChem CID 72701819) has the molecular formula C19H32INO4 and a molecular weight of 465.37 g/mol. Its IUPAC name is N-[(3S,5S)-5-(iodomethyl)-2-oxooxolan-3-yl]-3-oxotetradecanamide.

Molecular Properties

Compound NameN-[(3S,5S)-5-(iodomethyl)-2-oxooxolan-3-yl]-3-oxotetradecanamide
PubChem CID72701819
Molecular FormulaC19H32INO4
Molecular Weight465.37 g/mol
Exact Mass465.14
IUPAC NameN-[(3S,5S)-5-(iodomethyl)-2-oxooxolan-3-yl]-3-oxotetradecanamide
SMILESCCCCCCCCCCCC(=O)CC(=O)N[C@H]1C[C@@H](CI)OC1=O
InChIInChI=1S/C19H32INO4/c1-2-3-4-5-6-7-8-9-10-11-15(22)12-18(23)21-17-13-16(14-20)25-19(17)24/h16-17H,2-14H2,1H3,(H,21,23)/t16-,17-/m0/s1
InChIKeyHLHPPRDGRIFETH-IRXDYDNUSA-N
XLogP4.10
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.37
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

3-oxo-N-[(3S)-2-oxooxetan-3-yl]dodecanamide
CID 102493433
3-oxo-N-[(3S)-2-oxooxolan-3-yl]pentadecanamide
CID 87606219
3-oxo-N-[(3S)-2-oxo-5-phenyloxolan-3-yl]octanamide
CID 87959472
3-oxo-N-(2-oxocyclopentyl)dodecanamide
CID 23396790
(3R,5S)-3-heptyl-5-(iodomethyl)oxolan-2-one
CID 10990947
(Z)-3-oxo-N-[(3S)-2-oxooxolan-3-yl]hexadec-11-enamide
CID 91886142
N-[(3R)-2-oxooxolan-3-yl]tetradecanamide
CID 98125839
N-[(3S)-2-oxooxolan-3-yl]heptadecanamide
CID 68865340
(E)-3-oxo-N-[(3S)-2-oxooxolan-3-yl]dodec-6-enamide
CID 56662028
heptacosane-10,12-dione
CID 14235516
N-[(3S)-2,6-dioxooxan-3-yl]tetradecanamide
CID 87395765
[11,13-dioxo-13-[(2-oxooxolan-3-yl)amino]tridecyl]carbamic acid
CID 123693906

Frequently Asked Questions

What is the IUPAC name of N-[(3S,5S)-5-(iodomethyl)-2-oxooxolan-3-yl]-3-oxotetradecanamide?
The IUPAC name of N-[(3S,5S)-5-(iodomethyl)-2-oxooxolan-3-yl]-3-oxotetradecanamide (CID 72701819) is N-[(3S,5S)-5-(iodomethyl)-2-oxooxolan-3-yl]-3-oxotetradecanamide.
What is the SMILES notation for N-[(3S,5S)-5-(iodomethyl)-2-oxooxolan-3-yl]-3-oxotetradecanamide?
The canonical SMILES for N-[(3S,5S)-5-(iodomethyl)-2-oxooxolan-3-yl]-3-oxotetradecanamide is CCCCCCCCCCCC(=O)CC(=O)N[C@H]1C[C@@H](CI)OC1=O.
What is the InChIKey of N-[(3S,5S)-5-(iodomethyl)-2-oxooxolan-3-yl]-3-oxotetradecanamide?
The InChIKey is HLHPPRDGRIFETH-IRXDYDNUSA-N. The full InChI is InChI=1S/C19H32INO4/c1-2-3-4-5-6-7-8-9-10-11-15(22)12-18(23)21-17-13-16(14-20)25-19(17)24/h16-17H,2-14H2,1H3,(H,21,23)/t16-,17-/m0/s1.
What are the key properties of N-[(3S,5S)-5-(iodomethyl)-2-oxooxolan-3-yl]-3-oxotetradecanamide?
N-[(3S,5S)-5-(iodomethyl)-2-oxooxolan-3-yl]-3-oxotetradecanamide has a molecular weight of 465.37 g/mol, XLogP of 4.10, 14 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,5S)-5-(iodomethyl)-2-oxooxolan-3-yl]-3-oxotetradecanamide is sourced from PubChem (CID 72701819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).