N-(3-morpholin-4-ylpropyl)-2-(4-phenylphenoxy)propanamide

C22H28N2O3 — CID 55628607

IUPACN-(3-morpholin-4-ylpropyl)-2-(4-phenylphenoxy)propanamide
SMILESCC(Oc1ccc(-c2ccccc2)cc1)C(=O)NCCCN1CCOCC1
InChIInChI=1S/C22H28N2O3/c1-18(22(25)23-12-5-13-24-14-16-26-17-15-24)27-21-10-8-20(9-11-21)19-6-3-2-4-7-19/h2-4,6-11,18H,5,12-17H2,1H3,(H,23,25)
InChIKeyDDOKSYBLBQHUTN-UHFFFAOYSA-N
MW368.48 g/mol
LogP2.96
Rot. Bonds8

About N-(3-morpholin-4-ylpropyl)-2-(4-phenylphenoxy)propanamide

N-(3-morpholin-4-ylpropyl)-2-(4-phenylphenoxy)propanamide (PubChem CID 55628607) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is N-(3-morpholin-4-ylpropyl)-2-(4-phenylphenoxy)propanamide.

Molecular Properties

Compound NameN-(3-morpholin-4-ylpropyl)-2-(4-phenylphenoxy)propanamide
PubChem CID55628607
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC NameN-(3-morpholin-4-ylpropyl)-2-(4-phenylphenoxy)propanamide
SMILESCC(Oc1ccc(-c2ccccc2)cc1)C(=O)NCCCN1CCOCC1
InChIInChI=1S/C22H28N2O3/c1-18(22(25)23-12-5-13-24-14-16-26-17-15-24)27-21-10-8-20(9-11-21)19-6-3-2-4-7-19/h2-4,6-11,18H,5,12-17H2,1H3,(H,23,25)
InChIKeyDDOKSYBLBQHUTN-UHFFFAOYSA-N
XLogP2.96
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 52.96
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

2-(4-tert-butylphenoxy)-N-(3-morpholin-4-ylpropyl)propanamide
CID 51176280
2-(4-methylphenoxy)-N-(2-morpholin-4-ylethyl)propanamide
CID 51163883
(2R)-N-(3-morpholin-4-ylpropyl)-2-(2-propan-2-ylphenoxy)propanamide
CID 92679375
(2S)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-(3-morpholin-4-ylpropyl)propanamide
CID 100521021
(2R)-2-(4-bromophenoxy)-N-(2-morpholin-4-ylethyl)propanamide
CID 2203701
2-(4-chlorophenoxy)-N-(2-morpholin-4-ylethyl)propanamide
CID 51159478
2-phenoxy-N-(3-piperazin-1-ylpropyl)propanamide
CID 119394204
2-(3-methylphenoxy)-N-(2-morpholin-4-ylethyl)propanamide
CID 21368370
N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-(4-methylphenoxy)propanamide
CID 111429477
(2S)-N-[3-(4-methylpiperazin-1-yl)propyl]-2-naphthalen-2-yloxypropanamide
CID 99972262
(2S)-1-morpholin-4-yl-2-(4-phenylphenoxy)propan-1-one
CID 734825
(2R)-2-(2-methylphenoxy)-N-(2-morpholin-4-ylethyl)propanamide
CID 93488370

Frequently Asked Questions

What is the IUPAC name of N-(3-morpholin-4-ylpropyl)-2-(4-phenylphenoxy)propanamide?
The IUPAC name of N-(3-morpholin-4-ylpropyl)-2-(4-phenylphenoxy)propanamide (CID 55628607) is N-(3-morpholin-4-ylpropyl)-2-(4-phenylphenoxy)propanamide.
What is the SMILES notation for N-(3-morpholin-4-ylpropyl)-2-(4-phenylphenoxy)propanamide?
The canonical SMILES for N-(3-morpholin-4-ylpropyl)-2-(4-phenylphenoxy)propanamide is CC(Oc1ccc(-c2ccccc2)cc1)C(=O)NCCCN1CCOCC1.
What is the InChIKey of N-(3-morpholin-4-ylpropyl)-2-(4-phenylphenoxy)propanamide?
The InChIKey is DDOKSYBLBQHUTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-18(22(25)23-12-5-13-24-14-16-26-17-15-24)27-21-10-8-20(9-11-21)19-6-3-2-4-7-19/h2-4,6-11,18H,5,12-17H2,1H3,(H,23,25).
What are the key properties of N-(3-morpholin-4-ylpropyl)-2-(4-phenylphenoxy)propanamide?
N-(3-morpholin-4-ylpropyl)-2-(4-phenylphenoxy)propanamide has a molecular weight of 368.48 g/mol, XLogP of 2.96, 8 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)-2-(4-phenylphenoxy)propanamide is sourced from PubChem (CID 55628607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).