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

C21H41NO3 — CID 20511377

IUPACN-(3-hydroxypropyl)-2-pentadecyloxirane-2-carboxamide
SMILESCCCCCCCCCCCCCCCC1(C(=O)NCCCO)CO1
InChIInChI=1S/C21H41NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-21(19-25-21)20(24)22-17-15-18-23/h23H,2-19H2,1H3,(H,22,24)
InChIKeyNAQAYMWOKWXDQV-UHFFFAOYSA-N
MW355.56 g/mol
LogP4.74
Rot. Bonds18

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

N-(3-hydroxypropyl)-2-pentadecyloxirane-2-carboxamide (PubChem CID 20511377) has the molecular formula C21H41NO3 and a molecular weight of 355.56 g/mol. Its IUPAC name is N-(3-hydroxypropyl)-2-pentadecyloxirane-2-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxypropyl)-2-pentadecyloxirane-2-carboxamide
PubChem CID20511377
Molecular FormulaC21H41NO3
Molecular Weight355.56 g/mol
Exact Mass355.31
IUPAC NameN-(3-hydroxypropyl)-2-pentadecyloxirane-2-carboxamide
SMILESCCCCCCCCCCCCCCCC1(C(=O)NCCCO)CO1
InChIInChI=1S/C21H41NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-21(19-25-21)20(24)22-17-15-18-23/h23H,2-19H2,1H3,(H,22,24)
InChIKeyNAQAYMWOKWXDQV-UHFFFAOYSA-N
XLogP4.74
TPSA61.86 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.56
LogP ≤ 54.74
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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Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxypropyl)-2-pentadecyloxirane-2-carboxamide?
The IUPAC name of N-(3-hydroxypropyl)-2-pentadecyloxirane-2-carboxamide (CID 20511377) is N-(3-hydroxypropyl)-2-pentadecyloxirane-2-carboxamide.
What is the SMILES notation for N-(3-hydroxypropyl)-2-pentadecyloxirane-2-carboxamide?
The canonical SMILES for N-(3-hydroxypropyl)-2-pentadecyloxirane-2-carboxamide is CCCCCCCCCCCCCCCC1(C(=O)NCCCO)CO1.
What is the InChIKey of N-(3-hydroxypropyl)-2-pentadecyloxirane-2-carboxamide?
The InChIKey is NAQAYMWOKWXDQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H41NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-21(19-25-21)20(24)22-17-15-18-23/h23H,2-19H2,1H3,(H,22,24).
What are the key properties of N-(3-hydroxypropyl)-2-pentadecyloxirane-2-carboxamide?
N-(3-hydroxypropyl)-2-pentadecyloxirane-2-carboxamide has a molecular weight of 355.56 g/mol, XLogP of 4.74, 18 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypropyl)-2-pentadecyloxirane-2-carboxamide is sourced from PubChem (CID 20511377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).