N-(3-morpholin-4-ylpropyl)octadecanamide;phosphoric acid

C25H53N2O6P — CID 172692510

IUPACN-(3-morpholin-4-ylpropyl)octadecanamide;phosphoric acid
SMILESCCCCCCCCCCCCCCCCCC(=O)NCCCN1CCOCC1.O=P(O)(O)O
InChIInChI=1S/C25H50N2O2.H3O4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-25(28)26-19-17-20-27-21-23-29-24-22-27;1-5(2,3)4/h2-24H2,1H3,(H,26,28);(H3,1,2,3,4)
InChIKeyBWHMXWUSJAYCQP-UHFFFAOYSA-N
MW508.68 g/mol
LogP5.16
Rot. Bonds20

About N-(3-morpholin-4-ylpropyl)octadecanamide;phosphoric acid

N-(3-morpholin-4-ylpropyl)octadecanamide;phosphoric acid (PubChem CID 172692510) has the molecular formula C25H53N2O6P and a molecular weight of 508.68 g/mol. Its IUPAC name is N-(3-morpholin-4-ylpropyl)octadecanamide;phosphoric acid.

Molecular Properties

Compound NameN-(3-morpholin-4-ylpropyl)octadecanamide;phosphoric acid
PubChem CID172692510
Molecular FormulaC25H53N2O6P
Molecular Weight508.68 g/mol
Exact Mass508.36
IUPAC NameN-(3-morpholin-4-ylpropyl)octadecanamide;phosphoric acid
SMILESCCCCCCCCCCCCCCCCCC(=O)NCCCN1CCOCC1.O=P(O)(O)O
InChIInChI=1S/C25H50N2O2.H3O4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-25(28)26-19-17-20-27-21-23-29-24-22-27;1-5(2,3)4/h2-24H2,1H3,(H,26,28);(H3,1,2,3,4)
InChIKeyBWHMXWUSJAYCQP-UHFFFAOYSA-N
XLogP5.16
TPSA119.33 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds20
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.68
LogP ≤ 55.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(3-morpholin-4-ylpropyl)octadecanamide;phosphoric acid 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)butanamide
CID 4162480
N-[3-[4-[3-(octadecanoylamino)propyl]piperazin-1-yl]propyl]octadecanamide
CID 54494521
(Z)-N-(2-morpholin-4-ylethyl)octadec-9-enamide
CID 169211001
N'-(3-morpholin-4-ylpropyl)-N-octadecyloxamide
CID 18968645
5-hydroxy-N-(3-morpholin-4-ylpropyl)pentanamide
CID 79199883
N-(2-morpholin-4-ylethyl)pentanamide;sulfuric acid
CID 162122494
3-(2-morpholin-4-ylethylamino)-N-pentylpropanamide
CID 109016748
N,N'-bis(3-morpholin-4-ylpropyl)propanediamide
CID 21205309
hexadecyl N-(3-morpholin-4-ylpropyl)carbamate
CID 18968646
N-(3-morpholin-4-ylpropyl)pent-4-enamide
CID 70244904
4-hexylmorpholine
CID 3614751
N-[3-(4-ethylpiperazin-1-yl)propyl]pentanamide
CID 144835640

Frequently Asked Questions

What is the IUPAC name of N-(3-morpholin-4-ylpropyl)octadecanamide;phosphoric acid?
The IUPAC name of N-(3-morpholin-4-ylpropyl)octadecanamide;phosphoric acid (CID 172692510) is N-(3-morpholin-4-ylpropyl)octadecanamide;phosphoric acid.
What is the SMILES notation for N-(3-morpholin-4-ylpropyl)octadecanamide;phosphoric acid?
The canonical SMILES for N-(3-morpholin-4-ylpropyl)octadecanamide;phosphoric acid is CCCCCCCCCCCCCCCCCC(=O)NCCCN1CCOCC1.O=P(O)(O)O.
What is the InChIKey of N-(3-morpholin-4-ylpropyl)octadecanamide;phosphoric acid?
The InChIKey is BWHMXWUSJAYCQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H50N2O2.H3O4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-25(28)26-19-17-20-27-21-23-29-24-22-27;1-5(2,3)4/h2-24H2,1H3,(H,26,28);(H3,1,2,3,4).
What are the key properties of N-(3-morpholin-4-ylpropyl)octadecanamide;phosphoric acid?
N-(3-morpholin-4-ylpropyl)octadecanamide;phosphoric acid has a molecular weight of 508.68 g/mol, XLogP of 5.16, 20 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-morpholin-4-ylpropyl)octadecanamide;phosphoric acid is sourced from PubChem (CID 172692510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).