3-(2-morpholin-4-ylethylamino)-N-(4-propan-2-ylphenyl)propanamide

C18H29N3O2 — CID 109016776

IUPAC3-(2-morpholin-4-ylethylamino)-N-(4-propan-2-ylphenyl)propanamide
SMILESCC(C)c1ccc(NC(=O)CCNCCN2CCOCC2)cc1
InChIInChI=1S/C18H29N3O2/c1-15(2)16-3-5-17(6-4-16)20-18(22)7-8-19-9-10-21-11-13-23-14-12-21/h3-6,15,19H,7-14H2,1-2H3,(H,20,22)
InChIKeyXMJGAIBFVVXVSE-UHFFFAOYSA-N
MW319.45 g/mol
LogP2.06
Rot. Bonds8

About 3-(2-morpholin-4-ylethylamino)-N-(4-propan-2-ylphenyl)propanamide

3-(2-morpholin-4-ylethylamino)-N-(4-propan-2-ylphenyl)propanamide (PubChem CID 109016776) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is 3-(2-morpholin-4-ylethylamino)-N-(4-propan-2-ylphenyl)propanamide.

Molecular Properties

Compound Name3-(2-morpholin-4-ylethylamino)-N-(4-propan-2-ylphenyl)propanamide
PubChem CID109016776
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC Name3-(2-morpholin-4-ylethylamino)-N-(4-propan-2-ylphenyl)propanamide
SMILESCC(C)c1ccc(NC(=O)CCNCCN2CCOCC2)cc1
InChIInChI=1S/C18H29N3O2/c1-15(2)16-3-5-17(6-4-16)20-18(22)7-8-19-9-10-21-11-13-23-14-12-21/h3-6,15,19H,7-14H2,1-2H3,(H,20,22)
InChIKeyXMJGAIBFVVXVSE-UHFFFAOYSA-N
XLogP2.06
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(diethylamino)phenyl]-3-(2-morpholin-4-ylethylamino)propanamide
CID 109016821
N-[4-(4-methylpiperazin-1-yl)phenyl]-3-(2-morpholin-4-ylethylamino)propanamide
CID 109016826
N-(3-chloro-4-fluorophenyl)-3-(2-morpholin-4-ylethylamino)propanamide
CID 109016791
2-(3-morpholin-4-ylpropylamino)-4-oxo-4-(4-propan-2-ylanilino)butanoic acid
CID 18580971
N-(2-morpholin-4-ylethyl)-2-(4-propan-2-ylphenyl)acetamide
CID 110766797
N-(2-ethylphenyl)-3-(2-morpholin-4-ylethylamino)propanamide
CID 109016771
5-(azepan-1-yl)-N-(4-propan-2-ylphenyl)pentanamide
CID 59840298
2-morpholin-4-yl-N-[(4-propan-2-ylphenyl)methyl]ethanamine;dihydrochloride
CID 2995241
3-(2-methoxyethylamino)-N-(4-propan-2-ylphenyl)propanamide
CID 109015241
2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-N-(4-propan-2-ylphenyl)acetamide
CID 8592818
N-(4-aminophenyl)-4-morpholin-4-ylbutanamide
CID 16779642
3-(3-phenylpropylamino)-N-(4-propan-2-ylphenyl)propanamide
CID 109030939

Frequently Asked Questions

What is the IUPAC name of 3-(2-morpholin-4-ylethylamino)-N-(4-propan-2-ylphenyl)propanamide?
The IUPAC name of 3-(2-morpholin-4-ylethylamino)-N-(4-propan-2-ylphenyl)propanamide (CID 109016776) is 3-(2-morpholin-4-ylethylamino)-N-(4-propan-2-ylphenyl)propanamide.
What is the SMILES notation for 3-(2-morpholin-4-ylethylamino)-N-(4-propan-2-ylphenyl)propanamide?
The canonical SMILES for 3-(2-morpholin-4-ylethylamino)-N-(4-propan-2-ylphenyl)propanamide is CC(C)c1ccc(NC(=O)CCNCCN2CCOCC2)cc1.
What is the InChIKey of 3-(2-morpholin-4-ylethylamino)-N-(4-propan-2-ylphenyl)propanamide?
The InChIKey is XMJGAIBFVVXVSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-15(2)16-3-5-17(6-4-16)20-18(22)7-8-19-9-10-21-11-13-23-14-12-21/h3-6,15,19H,7-14H2,1-2H3,(H,20,22).
What are the key properties of 3-(2-morpholin-4-ylethylamino)-N-(4-propan-2-ylphenyl)propanamide?
3-(2-morpholin-4-ylethylamino)-N-(4-propan-2-ylphenyl)propanamide has a molecular weight of 319.45 g/mol, XLogP of 2.06, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-morpholin-4-ylethylamino)-N-(4-propan-2-ylphenyl)propanamide is sourced from PubChem (CID 109016776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).