N-(3-hydroxypropyl)-2-tetradecyloxirane-2-carboxamide

C20H39NO3 — CID 20511368

IUPACN-(3-hydroxypropyl)-2-tetradecyloxirane-2-carboxamide
SMILESCCCCCCCCCCCCCCC1(C(=O)NCCCO)CO1
InChIInChI=1S/C20H39NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-20(18-24-20)19(23)21-16-14-17-22/h22H,2-18H2,1H3,(H,21,23)
InChIKeyJVEZFIVQKLGBLA-UHFFFAOYSA-N
MW341.54 g/mol
LogP4.35
Rot. Bonds17

About N-(3-hydroxypropyl)-2-tetradecyloxirane-2-carboxamide

N-(3-hydroxypropyl)-2-tetradecyloxirane-2-carboxamide (PubChem CID 20511368) has the molecular formula C20H39NO3 and a molecular weight of 341.54 g/mol. Its IUPAC name is N-(3-hydroxypropyl)-2-tetradecyloxirane-2-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxypropyl)-2-tetradecyloxirane-2-carboxamide
PubChem CID20511368
Molecular FormulaC20H39NO3
Molecular Weight341.54 g/mol
Exact Mass341.29
IUPAC NameN-(3-hydroxypropyl)-2-tetradecyloxirane-2-carboxamide
SMILESCCCCCCCCCCCCCCC1(C(=O)NCCCO)CO1
InChIInChI=1S/C20H39NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-20(18-24-20)19(23)21-16-14-17-22/h22H,2-18H2,1H3,(H,21,23)
InChIKeyJVEZFIVQKLGBLA-UHFFFAOYSA-N
XLogP4.35
TPSA61.86 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.54
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Semiplenamide G
CID 21589501
Semiplenamide F
CID 10022023
N-(2-hydroxyethyl)-2-tetradecyloxirane-2-carboxamide
CID 13706909
[(2R)-2-[[(2S,3R)-2-methyl-3-pentadecyloxirane-2-carbonyl]amino]propyl] acetate
CID 163038607
(2S,3R)-N-[(2R)-1-hydroxypropan-2-yl]-2-methyl-3-pentadecyloxirane-2-carboxamide
CID 163091999
[(2S)-2-[[(2S,3R)-2-methyl-3-pentadecyloxirane-2-carbonyl]amino]propyl] acetate
CID 11189099
(2S,3R)-N-[(2S)-1-hydroxypropan-2-yl]-2-methyl-3-pentadecyloxirane-2-carboxamide
CID 11417350
N-(3-hydroxypropyl)-2-pentadecyloxirane-2-carboxamide
CID 20511377
N-ethyl-3-methyl-2-tetradecyloxirane-2-carboxamide
CID 20511389
N-butyl-2-tridecyloxirane-2-carboxamide
CID 20511398
N-(2-hydroxyethyl)-2-tridecyloxirane-2-carboxamide
CID 20511402
N-(2-hydroxyethyl)-2-pentadecyloxirane-2-carboxamide
CID 20511407

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxypropyl)-2-tetradecyloxirane-2-carboxamide?
The IUPAC name of N-(3-hydroxypropyl)-2-tetradecyloxirane-2-carboxamide (CID 20511368) is N-(3-hydroxypropyl)-2-tetradecyloxirane-2-carboxamide.
What is the SMILES notation for N-(3-hydroxypropyl)-2-tetradecyloxirane-2-carboxamide?
The canonical SMILES for N-(3-hydroxypropyl)-2-tetradecyloxirane-2-carboxamide is CCCCCCCCCCCCCCC1(C(=O)NCCCO)CO1.
What is the InChIKey of N-(3-hydroxypropyl)-2-tetradecyloxirane-2-carboxamide?
The InChIKey is JVEZFIVQKLGBLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-20(18-24-20)19(23)21-16-14-17-22/h22H,2-18H2,1H3,(H,21,23).
What are the key properties of N-(3-hydroxypropyl)-2-tetradecyloxirane-2-carboxamide?
N-(3-hydroxypropyl)-2-tetradecyloxirane-2-carboxamide has a molecular weight of 341.54 g/mol, XLogP of 4.35, 17 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypropyl)-2-tetradecyloxirane-2-carboxamide is sourced from PubChem (CID 20511368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).