N-[(3R)-2-oxoazepan-3-yl]hexadecanamide

C22H42N2O2 — CID 11152812

IUPACN-[(3R)-2-oxoazepan-3-yl]hexadecanamide
SMILESCCCCCCCCCCCCCCCC(=O)N[C@@H]1CCCCNC1=O
InChIInChI=1S/C22H42N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-21(25)24-20-17-15-16-19-23-22(20)26/h20H,2-19H2,1H3,(H,23,26)(H,24,25)/t20-/m1/s1
InChIKeyQSHMDHRLQGJACA-HXUWFJFHSA-N
MW366.59 g/mol
LogP5.25
Rot. Bonds15

About N-[(3R)-2-oxoazepan-3-yl]hexadecanamide

N-[(3R)-2-oxoazepan-3-yl]hexadecanamide (PubChem CID 11152812) has the molecular formula C22H42N2O2 and a molecular weight of 366.59 g/mol. Its IUPAC name is N-[(3R)-2-oxoazepan-3-yl]hexadecanamide.

Molecular Properties

Compound NameN-[(3R)-2-oxoazepan-3-yl]hexadecanamide
PubChem CID11152812
Molecular FormulaC22H42N2O2
Molecular Weight366.59 g/mol
Exact Mass366.32
IUPAC NameN-[(3R)-2-oxoazepan-3-yl]hexadecanamide
SMILESCCCCCCCCCCCCCCCC(=O)N[C@@H]1CCCCNC1=O
InChIInChI=1S/C22H42N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-21(25)24-20-17-15-16-19-23-22(20)26/h20H,2-19H2,1H3,(H,23,26)(H,24,25)/t20-/m1/s1
InChIKeyQSHMDHRLQGJACA-HXUWFJFHSA-N
XLogP5.25
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.59
LogP ≤ 55.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-[(3R)-2-oxoazepan-3-yl]hexadecanamide?
The IUPAC name of N-[(3R)-2-oxoazepan-3-yl]hexadecanamide (CID 11152812) is N-[(3R)-2-oxoazepan-3-yl]hexadecanamide.
What is the SMILES notation for N-[(3R)-2-oxoazepan-3-yl]hexadecanamide?
The canonical SMILES for N-[(3R)-2-oxoazepan-3-yl]hexadecanamide is CCCCCCCCCCCCCCCC(=O)N[C@@H]1CCCCNC1=O.
What is the InChIKey of N-[(3R)-2-oxoazepan-3-yl]hexadecanamide?
The InChIKey is QSHMDHRLQGJACA-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H42N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-21(25)24-20-17-15-16-19-23-22(20)26/h20H,2-19H2,1H3,(H,23,26)(H,24,25)/t20-/m1/s1.
What are the key properties of N-[(3R)-2-oxoazepan-3-yl]hexadecanamide?
N-[(3R)-2-oxoazepan-3-yl]hexadecanamide has a molecular weight of 366.59 g/mol, XLogP of 5.25, 15 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-2-oxoazepan-3-yl]hexadecanamide is sourced from PubChem (CID 11152812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).