N-[4-oxo-4-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)butyl]acetamide

C16H30N2O6 — CID 559348

IUPACN-[4-oxo-4-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)butyl]acetamide
SMILESCC(=O)NCCCC(=O)N1CCOCCOCCOCCOCC1
InChIInChI=1S/C16H30N2O6/c1-15(19)17-4-2-3-16(20)18-5-7-21-9-11-23-13-14-24-12-10-22-8-6-18/h2-14H2,1H3,(H,17,19)
InChIKeyHKNRQOMAHLADMF-UHFFFAOYSA-N
MW346.42 g/mol
LogP-0.19
Rot. Bonds4

About N-[4-oxo-4-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)butyl]acetamide

N-[4-oxo-4-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)butyl]acetamide (PubChem CID 559348) has the molecular formula C16H30N2O6 and a molecular weight of 346.42 g/mol. Its IUPAC name is N-[4-oxo-4-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)butyl]acetamide.

Molecular Properties

Compound NameN-[4-oxo-4-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)butyl]acetamide
PubChem CID559348
Molecular FormulaC16H30N2O6
Molecular Weight346.42 g/mol
Exact Mass346.21
IUPAC NameN-[4-oxo-4-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)butyl]acetamide
SMILESCC(=O)NCCCC(=O)N1CCOCCOCCOCCOCC1
InChIInChI=1S/C16H30N2O6/c1-15(19)17-4-2-3-16(20)18-5-7-21-9-11-23-13-14-24-12-10-22-8-6-18/h2-14H2,1H3,(H,17,19)
InChIKeyHKNRQOMAHLADMF-UHFFFAOYSA-N
XLogP-0.19
TPSA86.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.42
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-oxo-4-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)butyl]acetamide?
The IUPAC name of N-[4-oxo-4-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)butyl]acetamide (CID 559348) is N-[4-oxo-4-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)butyl]acetamide.
What is the SMILES notation for N-[4-oxo-4-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)butyl]acetamide?
The canonical SMILES for N-[4-oxo-4-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)butyl]acetamide is CC(=O)NCCCC(=O)N1CCOCCOCCOCCOCC1.
What is the InChIKey of N-[4-oxo-4-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)butyl]acetamide?
The InChIKey is HKNRQOMAHLADMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O6/c1-15(19)17-4-2-3-16(20)18-5-7-21-9-11-23-13-14-24-12-10-22-8-6-18/h2-14H2,1H3,(H,17,19).
What are the key properties of N-[4-oxo-4-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)butyl]acetamide?
N-[4-oxo-4-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)butyl]acetamide has a molecular weight of 346.42 g/mol, XLogP of -0.19, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-oxo-4-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)butyl]acetamide is sourced from PubChem (CID 559348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).