hexadecyl N-(2-morpholin-4-ylethyl)carbamate

C23H46N2O3 — CID 18968659

IUPAChexadecyl N-(2-morpholin-4-ylethyl)carbamate
SMILESCCCCCCCCCCCCCCCCOC(=O)NCCN1CCOCC1
InChIInChI=1S/C23H46N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-28-23(26)24-16-17-25-18-21-27-22-19-25/h2-22H2,1H3,(H,24,26)
InChIKeyIQLYELMOCRCNJW-UHFFFAOYSA-N
MW398.63 g/mol
LogP5.53
Rot. Bonds18

About hexadecyl N-(2-morpholin-4-ylethyl)carbamate

hexadecyl N-(2-morpholin-4-ylethyl)carbamate (PubChem CID 18968659) has the molecular formula C23H46N2O3 and a molecular weight of 398.63 g/mol. Its IUPAC name is hexadecyl N-(2-morpholin-4-ylethyl)carbamate.

Molecular Properties

Compound Namehexadecyl N-(2-morpholin-4-ylethyl)carbamate
PubChem CID18968659
Molecular FormulaC23H46N2O3
Molecular Weight398.63 g/mol
Exact Mass398.35
IUPAC Namehexadecyl N-(2-morpholin-4-ylethyl)carbamate
SMILESCCCCCCCCCCCCCCCCOC(=O)NCCN1CCOCC1
InChIInChI=1S/C23H46N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-28-23(26)24-16-17-25-18-21-27-22-19-25/h2-22H2,1H3,(H,24,26)
InChIKeyIQLYELMOCRCNJW-UHFFFAOYSA-N
XLogP5.53
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.63
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze hexadecyl N-(2-morpholin-4-ylethyl)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of hexadecyl N-(2-morpholin-4-ylethyl)carbamate?
The IUPAC name of hexadecyl N-(2-morpholin-4-ylethyl)carbamate (CID 18968659) is hexadecyl N-(2-morpholin-4-ylethyl)carbamate.
What is the SMILES notation for hexadecyl N-(2-morpholin-4-ylethyl)carbamate?
The canonical SMILES for hexadecyl N-(2-morpholin-4-ylethyl)carbamate is CCCCCCCCCCCCCCCCOC(=O)NCCN1CCOCC1.
What is the InChIKey of hexadecyl N-(2-morpholin-4-ylethyl)carbamate?
The InChIKey is IQLYELMOCRCNJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H46N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-28-23(26)24-16-17-25-18-21-27-22-19-25/h2-22H2,1H3,(H,24,26).
What are the key properties of hexadecyl N-(2-morpholin-4-ylethyl)carbamate?
hexadecyl N-(2-morpholin-4-ylethyl)carbamate has a molecular weight of 398.63 g/mol, XLogP of 5.53, 18 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for hexadecyl N-(2-morpholin-4-ylethyl)carbamate is sourced from PubChem (CID 18968659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).