3-amino-N-[(3S)-2-oxooxolan-3-yl]dodecanamide

C16H30N2O3 — CID 146427195

IUPAC3-amino-N-[(3S)-2-oxooxolan-3-yl]dodecanamide
SMILESCCCCCCCCCC(N)CC(=O)N[C@H]1CCOC1=O
InChIInChI=1S/C16H30N2O3/c1-2-3-4-5-6-7-8-9-13(17)12-15(19)18-14-10-11-21-16(14)20/h13-14H,2-12,17H2,1H3,(H,18,19)/t13?,14-/m0/s1
InChIKeySBWYUIOLCMHIBL-KZUDCZAMSA-N
MW298.43 g/mol
LogP2.28
Rot. Bonds11

About 3-amino-N-[(3S)-2-oxooxolan-3-yl]dodecanamide

3-amino-N-[(3S)-2-oxooxolan-3-yl]dodecanamide (PubChem CID 146427195) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is 3-amino-N-[(3S)-2-oxooxolan-3-yl]dodecanamide.

Molecular Properties

Compound Name3-amino-N-[(3S)-2-oxooxolan-3-yl]dodecanamide
PubChem CID146427195
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Name3-amino-N-[(3S)-2-oxooxolan-3-yl]dodecanamide
SMILESCCCCCCCCCC(N)CC(=O)N[C@H]1CCOC1=O
InChIInChI=1S/C16H30N2O3/c1-2-3-4-5-6-7-8-9-13(17)12-15(19)18-14-10-11-21-16(14)20/h13-14H,2-12,17H2,1H3,(H,18,19)/t13?,14-/m0/s1
InChIKeySBWYUIOLCMHIBL-KZUDCZAMSA-N
XLogP2.28
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-hydroxy-N-(2-oxooxolan-3-yl)tridecanamide
CID 11515162
N-[(3R)-2-oxooxolan-3-yl]tetradecanamide
CID 98125839
N-[(3S)-2-oxooxolan-3-yl]heptadecanamide
CID 68865340
(Z,3S)-3-hydroxy-N-[(3R)-2-oxooxolan-3-yl]tetradec-7-enamide
CID 24882438
N-(2-oxooxolan-3-yl)pentanamide
CID 11513883
3-oxo-N-[(3S)-2-oxooxolan-3-yl]pentadecanamide
CID 87606219
(Z)-3-hydroxy-N-[(3S)-2-oxooxolan-3-yl]tetradec-7-enamide;(Z)-N-[(3S)-2-oxooxolan-3-yl]tetradec-7-enamide
CID 157320754
(Z)-N-(2-oxooxolan-3-yl)tetradec-7-enamide
CID 90324396
(E)-N-[(3S)-2-oxooxolan-3-yl]hexadec-8-enamide
CID 11638617
3-methyl-N-(2-oxooxolan-3-yl)pentanamide
CID 59157424
N-[(3S)-2-oxooxolan-3-yl]-2-pentylsulfonylacetamide
CID 11173472
3-hydroxy-5-methyl-N-(2-oxooxolan-3-yl)hexanamide
CID 20633768

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(3S)-2-oxooxolan-3-yl]dodecanamide?
The IUPAC name of 3-amino-N-[(3S)-2-oxooxolan-3-yl]dodecanamide (CID 146427195) is 3-amino-N-[(3S)-2-oxooxolan-3-yl]dodecanamide.
What is the SMILES notation for 3-amino-N-[(3S)-2-oxooxolan-3-yl]dodecanamide?
The canonical SMILES for 3-amino-N-[(3S)-2-oxooxolan-3-yl]dodecanamide is CCCCCCCCCC(N)CC(=O)N[C@H]1CCOC1=O.
What is the InChIKey of 3-amino-N-[(3S)-2-oxooxolan-3-yl]dodecanamide?
The InChIKey is SBWYUIOLCMHIBL-KZUDCZAMSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-2-3-4-5-6-7-8-9-13(17)12-15(19)18-14-10-11-21-16(14)20/h13-14H,2-12,17H2,1H3,(H,18,19)/t13?,14-/m0/s1.
What are the key properties of 3-amino-N-[(3S)-2-oxooxolan-3-yl]dodecanamide?
3-amino-N-[(3S)-2-oxooxolan-3-yl]dodecanamide has a molecular weight of 298.43 g/mol, XLogP of 2.28, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(3S)-2-oxooxolan-3-yl]dodecanamide is sourced from PubChem (CID 146427195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).