hexadecyl N-(3-morpholin-4-ylpropyl)carbamate

C24H48N2O3 — CID 18968646

IUPAChexadecyl N-(3-morpholin-4-ylpropyl)carbamate
SMILESCCCCCCCCCCCCCCCCOC(=O)NCCCN1CCOCC1
InChIInChI=1S/C24H48N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21-29-24(27)25-17-16-18-26-19-22-28-23-20-26/h2-23H2,1H3,(H,25,27)
InChIKeyPVWWVISKZLOTBJ-UHFFFAOYSA-N
MW412.66 g/mol
LogP5.92
Rot. Bonds19

About hexadecyl N-(3-morpholin-4-ylpropyl)carbamate

hexadecyl N-(3-morpholin-4-ylpropyl)carbamate (PubChem CID 18968646) has the molecular formula C24H48N2O3 and a molecular weight of 412.66 g/mol. Its IUPAC name is hexadecyl N-(3-morpholin-4-ylpropyl)carbamate.

Molecular Properties

Compound Namehexadecyl N-(3-morpholin-4-ylpropyl)carbamate
PubChem CID18968646
Molecular FormulaC24H48N2O3
Molecular Weight412.66 g/mol
Exact Mass412.37
IUPAC Namehexadecyl N-(3-morpholin-4-ylpropyl)carbamate
SMILESCCCCCCCCCCCCCCCCOC(=O)NCCCN1CCOCC1
InChIInChI=1S/C24H48N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21-29-24(27)25-17-16-18-26-19-22-28-23-20-26/h2-23H2,1H3,(H,25,27)
InChIKeyPVWWVISKZLOTBJ-UHFFFAOYSA-N
XLogP5.92
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds19
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.66
LogP ≤ 55.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze hexadecyl N-(3-morpholin-4-ylpropyl)carbamate with MolForge

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

Launch Full Analysis

Related Compounds

N'-(3-morpholin-4-ylpropyl)-N-octadecyloxamide
CID 18968645
3-piperidin-1-ylpropyl N-octylcarbamate
CID 11417860
tetradecyl 3-morpholin-4-ylpropanoate
CID 59204007
undecyl N-octylcarbamate
CID 168918698
37-(octadecylcarbamoyloxy)heptatriacontyl N-octadecylcarbamate
CID 156779925
hexyl N-tetradecylcarbamate
CID 91739120
(1-octadecanoylpiperidin-2-yl)methyl N-(3-morpholin-4-ylpropyl)carbamate
CID 139843228
azane;octyl N-octylcarbamate
CID 175531380
4-hexylmorpholine
CID 3614751
(2S)-2-amino-N-(3-morpholin-4-ylpropyl)hexanamide
CID 93339966
N-(3-morpholin-4-ylpropyl)octadecanamide;phosphoric acid
CID 172692510
hexadecyl N-[2-(4-hydroxypiperidin-1-yl)ethyl]carbamate
CID 18968656

Frequently Asked Questions

What is the IUPAC name of hexadecyl N-(3-morpholin-4-ylpropyl)carbamate?
The IUPAC name of hexadecyl N-(3-morpholin-4-ylpropyl)carbamate (CID 18968646) is hexadecyl N-(3-morpholin-4-ylpropyl)carbamate.
What is the SMILES notation for hexadecyl N-(3-morpholin-4-ylpropyl)carbamate?
The canonical SMILES for hexadecyl N-(3-morpholin-4-ylpropyl)carbamate is CCCCCCCCCCCCCCCCOC(=O)NCCCN1CCOCC1.
What is the InChIKey of hexadecyl N-(3-morpholin-4-ylpropyl)carbamate?
The InChIKey is PVWWVISKZLOTBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H48N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21-29-24(27)25-17-16-18-26-19-22-28-23-20-26/h2-23H2,1H3,(H,25,27).
What are the key properties of hexadecyl N-(3-morpholin-4-ylpropyl)carbamate?
hexadecyl N-(3-morpholin-4-ylpropyl)carbamate has a molecular weight of 412.66 g/mol, XLogP of 5.92, 19 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for hexadecyl N-(3-morpholin-4-ylpropyl)carbamate is sourced from PubChem (CID 18968646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).