N-[(3R)-2-oxooxolan-3-yl]tetradecanamide

C18H33NO3 — CID 98125839

IUPACN-[(3R)-2-oxooxolan-3-yl]tetradecanamide
SMILESCCCCCCCCCCCCCC(=O)N[C@@H]1CCOC1=O
InChIInChI=1S/C18H33NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-17(20)19-16-14-15-22-18(16)21/h16H,2-15H2,1H3,(H,19,20)/t16-/m1/s1
InChIKeyZQAYHOXXVBVXPZ-MRXNPFEDSA-N
MW311.47 g/mol
LogP4.12
Rot. Bonds13

About N-[(3R)-2-oxooxolan-3-yl]tetradecanamide

N-[(3R)-2-oxooxolan-3-yl]tetradecanamide (PubChem CID 98125839) has the molecular formula C18H33NO3 and a molecular weight of 311.47 g/mol. Its IUPAC name is N-[(3R)-2-oxooxolan-3-yl]tetradecanamide.

Molecular Properties

Compound NameN-[(3R)-2-oxooxolan-3-yl]tetradecanamide
PubChem CID98125839
Molecular FormulaC18H33NO3
Molecular Weight311.47 g/mol
Exact Mass311.25
IUPAC NameN-[(3R)-2-oxooxolan-3-yl]tetradecanamide
SMILESCCCCCCCCCCCCCC(=O)N[C@@H]1CCOC1=O
InChIInChI=1S/C18H33NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-17(20)19-16-14-15-22-18(16)21/h16H,2-15H2,1H3,(H,19,20)/t16-/m1/s1
InChIKeyZQAYHOXXVBVXPZ-MRXNPFEDSA-N
XLogP4.12
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.47
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(3S)-2-oxooxolan-3-yl]heptadecanamide
CID 68865340
N-(2-oxooxolan-3-yl)pentanamide
CID 11513883
(Z)-N-(2-oxooxolan-3-yl)tetradec-7-enamide
CID 90324396
(E)-N-[(3S)-2-oxooxolan-3-yl]hexadec-8-enamide
CID 11638617
3-oxo-N-[(3S)-2-oxooxolan-3-yl]pentadecanamide
CID 87606219
6-oxo-6-[(2-oxooxolan-3-yl)amino]hexanoic acid
CID 65418345
(E)-3-hydroxy-N-[(3S)-2-oxooxolan-3-yl]dodec-2-enamide
CID 100993091
(Z)-3-oxo-N-[(3S)-2-oxooxolan-3-yl]hexadec-11-enamide
CID 91886142
5-bromo-N-(2-oxooxolan-3-yl)pentanamide
CID 107907304
(Z)-3-hydroxy-N-[(3S)-2-oxooxolan-3-yl]tetradec-7-enamide;(Z)-N-[(3S)-2-oxooxolan-3-yl]tetradec-7-enamide
CID 157320754
(E)-3-oxo-N-[(3S)-2-oxooxolan-3-yl]dodec-6-enamide
CID 56662028
3-amino-N-[(3S)-2-oxooxolan-3-yl]dodecanamide
CID 146427195

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-2-oxooxolan-3-yl]tetradecanamide?
The IUPAC name of N-[(3R)-2-oxooxolan-3-yl]tetradecanamide (CID 98125839) is N-[(3R)-2-oxooxolan-3-yl]tetradecanamide.
What is the SMILES notation for N-[(3R)-2-oxooxolan-3-yl]tetradecanamide?
The canonical SMILES for N-[(3R)-2-oxooxolan-3-yl]tetradecanamide is CCCCCCCCCCCCCC(=O)N[C@@H]1CCOC1=O.
What is the InChIKey of N-[(3R)-2-oxooxolan-3-yl]tetradecanamide?
The InChIKey is ZQAYHOXXVBVXPZ-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H33NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-17(20)19-16-14-15-22-18(16)21/h16H,2-15H2,1H3,(H,19,20)/t16-/m1/s1.
What are the key properties of N-[(3R)-2-oxooxolan-3-yl]tetradecanamide?
N-[(3R)-2-oxooxolan-3-yl]tetradecanamide has a molecular weight of 311.47 g/mol, XLogP of 4.12, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-2-oxooxolan-3-yl]tetradecanamide is sourced from PubChem (CID 98125839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).