N-ethyl-N-(1,4,7,10,13-pentaoxacyclopentadec-2-ylmethyl)propanamide

C16H31NO6 — CID 15148201

IUPACN-ethyl-N-(1,4,7,10,13-pentaoxacyclopentadec-2-ylmethyl)propanamide
SMILESCCC(=O)N(CC)CC1COCCOCCOCCOCCO1
InChIInChI=1S/C16H31NO6/c1-3-16(18)17(4-2)13-15-14-22-10-9-20-6-5-19-7-8-21-11-12-23-15/h15H,3-14H2,1-2H3
InChIKeyNUEOVWGELPVLKO-UHFFFAOYSA-N
MW333.43 g/mol
LogP0.71
Rot. Bonds4

About N-ethyl-N-(1,4,7,10,13-pentaoxacyclopentadec-2-ylmethyl)propanamide

N-ethyl-N-(1,4,7,10,13-pentaoxacyclopentadec-2-ylmethyl)propanamide (PubChem CID 15148201) has the molecular formula C16H31NO6 and a molecular weight of 333.43 g/mol. Its IUPAC name is N-ethyl-N-(1,4,7,10,13-pentaoxacyclopentadec-2-ylmethyl)propanamide.

Molecular Properties

Compound NameN-ethyl-N-(1,4,7,10,13-pentaoxacyclopentadec-2-ylmethyl)propanamide
PubChem CID15148201
Molecular FormulaC16H31NO6
Molecular Weight333.43 g/mol
Exact Mass333.22
IUPAC NameN-ethyl-N-(1,4,7,10,13-pentaoxacyclopentadec-2-ylmethyl)propanamide
SMILESCCC(=O)N(CC)CC1COCCOCCOCCOCCO1
InChIInChI=1S/C16H31NO6/c1-3-16(18)17(4-2)13-15-14-22-10-9-20-6-5-19-7-8-21-11-12-23-15/h15H,3-14H2,1-2H3
InChIKeyNUEOVWGELPVLKO-UHFFFAOYSA-N
XLogP0.71
TPSA66.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(1,4,7,10,13-pentaoxacyclopentadec-2-ylmethyl)propanamide?
The IUPAC name of N-ethyl-N-(1,4,7,10,13-pentaoxacyclopentadec-2-ylmethyl)propanamide (CID 15148201) is N-ethyl-N-(1,4,7,10,13-pentaoxacyclopentadec-2-ylmethyl)propanamide.
What is the SMILES notation for N-ethyl-N-(1,4,7,10,13-pentaoxacyclopentadec-2-ylmethyl)propanamide?
The canonical SMILES for N-ethyl-N-(1,4,7,10,13-pentaoxacyclopentadec-2-ylmethyl)propanamide is CCC(=O)N(CC)CC1COCCOCCOCCOCCO1.
What is the InChIKey of N-ethyl-N-(1,4,7,10,13-pentaoxacyclopentadec-2-ylmethyl)propanamide?
The InChIKey is NUEOVWGELPVLKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO6/c1-3-16(18)17(4-2)13-15-14-22-10-9-20-6-5-19-7-8-21-11-12-23-15/h15H,3-14H2,1-2H3.
What are the key properties of N-ethyl-N-(1,4,7,10,13-pentaoxacyclopentadec-2-ylmethyl)propanamide?
N-ethyl-N-(1,4,7,10,13-pentaoxacyclopentadec-2-ylmethyl)propanamide has a molecular weight of 333.43 g/mol, XLogP of 0.71, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(1,4,7,10,13-pentaoxacyclopentadec-2-ylmethyl)propanamide is sourced from PubChem (CID 15148201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).