N'-(3-morpholin-4-ylpropyl)-N-octadecyloxamide

C27H53N3O3 — CID 18968645

IUPACN'-(3-morpholin-4-ylpropyl)-N-octadecyloxamide
SMILESCCCCCCCCCCCCCCCCCCNC(=O)C(=O)NCCCN1CCOCC1
InChIInChI=1S/C27H53N3O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-28-26(31)27(32)29-20-18-21-30-22-24-33-25-23-30/h2-25H2,1H3,(H,28,31)(H,29,32)
InChIKeyDTXKSKCUDSHXSO-UHFFFAOYSA-N
MW467.74 g/mol
LogP5.20
Rot. Bonds21

About N'-(3-morpholin-4-ylpropyl)-N-octadecyloxamide

N'-(3-morpholin-4-ylpropyl)-N-octadecyloxamide (PubChem CID 18968645) has the molecular formula C27H53N3O3 and a molecular weight of 467.74 g/mol. Its IUPAC name is N'-(3-morpholin-4-ylpropyl)-N-octadecyloxamide.

Molecular Properties

Compound NameN'-(3-morpholin-4-ylpropyl)-N-octadecyloxamide
PubChem CID18968645
Molecular FormulaC27H53N3O3
Molecular Weight467.74 g/mol
Exact Mass467.41
IUPAC NameN'-(3-morpholin-4-ylpropyl)-N-octadecyloxamide
SMILESCCCCCCCCCCCCCCCCCCNC(=O)C(=O)NCCCN1CCOCC1
InChIInChI=1S/C27H53N3O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-28-26(31)27(32)29-20-18-21-30-22-24-33-25-23-30/h2-25H2,1H3,(H,28,31)(H,29,32)
InChIKeyDTXKSKCUDSHXSO-UHFFFAOYSA-N
XLogP5.20
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds21
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.74
LogP ≤ 55.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-morpholin-4-ylethyl)-3-pentylurea
CID 108988288
hexadecyl N-(3-morpholin-4-ylpropyl)carbamate
CID 18968646
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
2-(3-morpholin-4-ylpropylamino)-2-oxoacetic acid
CID 43444981
N-(3-morpholin-4-ylpropyl)butanamide
CID 4162480
2,3-dimethyl-N-(4-morpholin-4-ylbutyl)but-2-enamide
CID 123810381
N-(2-morpholin-4-ylethyl)pentanamide;sulfuric acid
CID 162122494
2,2-dimethyl-N-(2-morpholin-4-ylethyl)-N'-pentylpropanediamide
CID 108960403
1-(3-morpholin-4-ylpropanoylamino)-3-octadecylurea
CID 18968658
N'-(4-butylphenyl)-N-(3-morpholin-4-ylpropyl)oxamide
CID 5223166

Frequently Asked Questions

What is the IUPAC name of N'-(3-morpholin-4-ylpropyl)-N-octadecyloxamide?
The IUPAC name of N'-(3-morpholin-4-ylpropyl)-N-octadecyloxamide (CID 18968645) is N'-(3-morpholin-4-ylpropyl)-N-octadecyloxamide.
What is the SMILES notation for N'-(3-morpholin-4-ylpropyl)-N-octadecyloxamide?
The canonical SMILES for N'-(3-morpholin-4-ylpropyl)-N-octadecyloxamide is CCCCCCCCCCCCCCCCCCNC(=O)C(=O)NCCCN1CCOCC1.
What is the InChIKey of N'-(3-morpholin-4-ylpropyl)-N-octadecyloxamide?
The InChIKey is DTXKSKCUDSHXSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H53N3O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-28-26(31)27(32)29-20-18-21-30-22-24-33-25-23-30/h2-25H2,1H3,(H,28,31)(H,29,32).
What are the key properties of N'-(3-morpholin-4-ylpropyl)-N-octadecyloxamide?
N'-(3-morpholin-4-ylpropyl)-N-octadecyloxamide has a molecular weight of 467.74 g/mol, XLogP of 5.20, 21 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-morpholin-4-ylpropyl)-N-octadecyloxamide is sourced from PubChem (CID 18968645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).