N-(3-morpholin-4-ylpropyl)-3-(2-octadecoxyphenyl)propanamide;hydrochloride

C34H61ClN2O3 — CID 18520283

IUPACN-(3-morpholin-4-ylpropyl)-3-(2-octadecoxyphenyl)propanamide;hydrochloride
SMILESCCCCCCCCCCCCCCCCCCOc1ccccc1CCC(=O)NCCCN1CCOCC1.Cl
InChIInChI=1S/C34H60N2O3.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-29-39-33-22-18-17-21-32(33)23-24-34(37)35-25-20-26-36-27-30-38-31-28-36;/h17-18,21-22H,2-16,19-20,23-31H2,1H3,(H,35,37);1H
InChIKeyDFZIPRHCRUZFHY-UHFFFAOYSA-N
MW581.33 g/mol
LogP8.52
Rot. Bonds25

About N-(3-morpholin-4-ylpropyl)-3-(2-octadecoxyphenyl)propanamide;hydrochloride

N-(3-morpholin-4-ylpropyl)-3-(2-octadecoxyphenyl)propanamide;hydrochloride (PubChem CID 18520283) has the molecular formula C34H61ClN2O3 and a molecular weight of 581.33 g/mol. Its IUPAC name is N-(3-morpholin-4-ylpropyl)-3-(2-octadecoxyphenyl)propanamide;hydrochloride.

Molecular Properties

Compound NameN-(3-morpholin-4-ylpropyl)-3-(2-octadecoxyphenyl)propanamide;hydrochloride
PubChem CID18520283
Molecular FormulaC34H61ClN2O3
Molecular Weight581.33 g/mol
Exact Mass580.44
IUPAC NameN-(3-morpholin-4-ylpropyl)-3-(2-octadecoxyphenyl)propanamide;hydrochloride
SMILESCCCCCCCCCCCCCCCCCCOc1ccccc1CCC(=O)NCCCN1CCOCC1.Cl
InChIInChI=1S/C34H60N2O3.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-29-39-33-22-18-17-21-32(33)23-24-34(37)35-25-20-26-36-27-30-38-31-28-36;/h17-18,21-22H,2-16,19-20,23-31H2,1H3,(H,35,37);1H
InChIKeyDFZIPRHCRUZFHY-UHFFFAOYSA-N
XLogP8.52
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds25
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500581.33
LogP ≤ 58.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(4-chlorobutoxy)phenyl]-N-octadecylpropanamide
CID 18520271
4-[4-(2-butoxyphenoxy)butyl]morpholine;hydrochloride
CID 2993517
N-[3-[iodo(methyl)amino]propyl]-3-(2-octoxyphenyl)propanamide
CID 163824215
3-(2-ethoxyphenyl)-N-pentylpropanamide
CID 78805290
4-[4-(2-propoxyphenoxy)butyl]morpholine;hydrochloride
CID 2994701
2-(2-hydroxyphenoxy)-N-(3-morpholin-4-ylpropyl)acetamide
CID 78784092
N-methyl-3-[2-(4-piperidin-1-ylbutoxy)phenyl]propanamide
CID 20719073
4-[3-[2-(3-morpholin-4-ylpropoxy)phenyl]propyl]morpholine
CID 170869645
N-(3-morpholin-4-ylpropyl)butanamide
CID 4162480
N-(3-morpholin-4-ylpropyl)octadecanamide;phosphoric acid
CID 172692510
hexadecyl N-(3-morpholin-4-ylpropyl)carbamate
CID 18968646
2-(6-morpholin-4-ylhexoxy)phenol
CID 10149383

Frequently Asked Questions

What is the IUPAC name of N-(3-morpholin-4-ylpropyl)-3-(2-octadecoxyphenyl)propanamide;hydrochloride?
The IUPAC name of N-(3-morpholin-4-ylpropyl)-3-(2-octadecoxyphenyl)propanamide;hydrochloride (CID 18520283) is N-(3-morpholin-4-ylpropyl)-3-(2-octadecoxyphenyl)propanamide;hydrochloride.
What is the SMILES notation for N-(3-morpholin-4-ylpropyl)-3-(2-octadecoxyphenyl)propanamide;hydrochloride?
The canonical SMILES for N-(3-morpholin-4-ylpropyl)-3-(2-octadecoxyphenyl)propanamide;hydrochloride is CCCCCCCCCCCCCCCCCCOc1ccccc1CCC(=O)NCCCN1CCOCC1.Cl.
What is the InChIKey of N-(3-morpholin-4-ylpropyl)-3-(2-octadecoxyphenyl)propanamide;hydrochloride?
The InChIKey is DFZIPRHCRUZFHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H60N2O3.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-29-39-33-22-18-17-21-32(33)23-24-34(37)35-25-20-26-36-27-30-38-31-28-36;/h17-18,21-22H,2-16,19-20,23-31H2,1H3,(H,35,37);1H.
What are the key properties of N-(3-morpholin-4-ylpropyl)-3-(2-octadecoxyphenyl)propanamide;hydrochloride?
N-(3-morpholin-4-ylpropyl)-3-(2-octadecoxyphenyl)propanamide;hydrochloride has a molecular weight of 581.33 g/mol, XLogP of 8.52, 25 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-morpholin-4-ylpropyl)-3-(2-octadecoxyphenyl)propanamide;hydrochloride is sourced from PubChem (CID 18520283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).