N-[4-(morpholin-4-ylmethyl)phenyl]octadecanamide

C29H50N2O2 — CID 108730937

IUPACN-[4-(morpholin-4-ylmethyl)phenyl]octadecanamide
SMILESCCCCCCCCCCCCCCCCCC(=O)Nc1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C29H50N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-29(32)30-28-20-18-27(19-21-28)26-31-22-24-33-25-23-31/h18-21H,2-17,22-26H2,1H3,(H,30,32)
InChIKeyKZSWNFPMSUYBRI-UHFFFAOYSA-N
MW458.73 g/mol
LogP7.72
Rot. Bonds19

About N-[4-(morpholin-4-ylmethyl)phenyl]octadecanamide

N-[4-(morpholin-4-ylmethyl)phenyl]octadecanamide (PubChem CID 108730937) has the molecular formula C29H50N2O2 and a molecular weight of 458.73 g/mol. Its IUPAC name is N-[4-(morpholin-4-ylmethyl)phenyl]octadecanamide.

Molecular Properties

Compound NameN-[4-(morpholin-4-ylmethyl)phenyl]octadecanamide
PubChem CID108730937
Molecular FormulaC29H50N2O2
Molecular Weight458.73 g/mol
Exact Mass458.39
IUPAC NameN-[4-(morpholin-4-ylmethyl)phenyl]octadecanamide
SMILESCCCCCCCCCCCCCCCCCC(=O)Nc1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C29H50N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-29(32)30-28-20-18-27(19-21-28)26-31-22-24-33-25-23-31/h18-21H,2-17,22-26H2,1H3,(H,30,32)
InChIKeyKZSWNFPMSUYBRI-UHFFFAOYSA-N
XLogP7.72
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds19
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.73
LogP ≤ 57.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(pyrrolidin-1-ylmethyl)phenyl]pentanamide
CID 3292281
1-(4-butylphenyl)-3-[4-(morpholin-4-ylmethyl)phenyl]urea
CID 17149107
6-(1,3-dioxoisoindol-2-yl)-N-[4-(morpholin-4-ylmethyl)phenyl]hexanamide
CID 108754514
2-amino-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 60672694
2-methoxy-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 60656764
N-[4-(icosanoylamino)phenyl]icosanamide
CID 101291044
N-(4-morpholin-4-ylphenyl)pentanamide
CID 2765048
N-[4-(morpholin-4-ylmethyl)phenyl]-2-(prop-2-enylamino)acetamide
CID 78912261
2-[[2-(diethylamino)-2-oxoethyl]-methylamino]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 26628380
N-(4-heptylphenyl)heptanamide
CID 101077737
(2S)-2-amino-N-[4-(morpholin-4-ylmethyl)phenyl]pentanamide
CID 107569254
2-(4-acetamidophenyl)sulfanyl-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 26599953

Frequently Asked Questions

What is the IUPAC name of N-[4-(morpholin-4-ylmethyl)phenyl]octadecanamide?
The IUPAC name of N-[4-(morpholin-4-ylmethyl)phenyl]octadecanamide (CID 108730937) is N-[4-(morpholin-4-ylmethyl)phenyl]octadecanamide.
What is the SMILES notation for N-[4-(morpholin-4-ylmethyl)phenyl]octadecanamide?
The canonical SMILES for N-[4-(morpholin-4-ylmethyl)phenyl]octadecanamide is CCCCCCCCCCCCCCCCCC(=O)Nc1ccc(CN2CCOCC2)cc1.
What is the InChIKey of N-[4-(morpholin-4-ylmethyl)phenyl]octadecanamide?
The InChIKey is KZSWNFPMSUYBRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H50N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-29(32)30-28-20-18-27(19-21-28)26-31-22-24-33-25-23-31/h18-21H,2-17,22-26H2,1H3,(H,30,32).
What are the key properties of N-[4-(morpholin-4-ylmethyl)phenyl]octadecanamide?
N-[4-(morpholin-4-ylmethyl)phenyl]octadecanamide has a molecular weight of 458.73 g/mol, XLogP of 7.72, 19 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(morpholin-4-ylmethyl)phenyl]octadecanamide is sourced from PubChem (CID 108730937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).