4-indol-1-yl-N-(3-morpholin-4-ylpropyl)-4-oxobutanamide

C19H25N3O3 — CID 84557544

IUPAC4-indol-1-yl-N-(3-morpholin-4-ylpropyl)-4-oxobutanamide
SMILESO=C(CCC(=O)n1ccc2ccccc21)NCCCN1CCOCC1
InChIInChI=1S/C19H25N3O3/c23-18(20-9-3-10-21-12-14-25-15-13-21)6-7-19(24)22-11-8-16-4-1-2-5-17(16)22/h1-2,4-5,8,11H,3,6-7,9-10,12-15H2,(H,20,23)
InChIKeyUIXBKIINBASFSC-UHFFFAOYSA-N
MW343.43 g/mol
LogP1.90
Rot. Bonds7

About 4-indol-1-yl-N-(3-morpholin-4-ylpropyl)-4-oxobutanamide

4-indol-1-yl-N-(3-morpholin-4-ylpropyl)-4-oxobutanamide (PubChem CID 84557544) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is 4-indol-1-yl-N-(3-morpholin-4-ylpropyl)-4-oxobutanamide.

Molecular Properties

Compound Name4-indol-1-yl-N-(3-morpholin-4-ylpropyl)-4-oxobutanamide
PubChem CID84557544
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name4-indol-1-yl-N-(3-morpholin-4-ylpropyl)-4-oxobutanamide
SMILESO=C(CCC(=O)n1ccc2ccccc21)NCCCN1CCOCC1
InChIInChI=1S/C19H25N3O3/c23-18(20-9-3-10-21-12-14-25-15-13-21)6-7-19(24)22-11-8-16-4-1-2-5-17(16)22/h1-2,4-5,8,11H,3,6-7,9-10,12-15H2,(H,20,23)
InChIKeyUIXBKIINBASFSC-UHFFFAOYSA-N
XLogP1.90
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[(4-indol-1-yl-4-oxobutanoyl)amino]butanoic acid
CID 84556637
N-(3-morpholin-4-ylpropyl)-4-oxo-4-phenylbutanamide
CID 6734075
N-(3-morpholin-4-ylpropyl)-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide
CID 55347239
3-indol-1-yl-N-(4-pyrrolidin-1-ylbutyl)propanamide
CID 84556804
N-(4-morpholin-4-ylbutyl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 47041811
4-indol-1-yl-N-(4-methylpiperazin-1-yl)-4-oxobutanamide
CID 84557053
N-(3-morpholin-4-ylpropyl)indazole-1-carboxamide
CID 175830927
N,N'-bis(3-morpholin-4-ylpropyl)propanediamide
CID 21205309
N-(3-morpholin-4-ylpropyl)butanamide
CID 4162480
2-(1-benzoyl-2-chloropyrrol-3-yl)-N-(3-morpholin-4-ylpropyl)acetamide
CID 11741077
2-(benzotriazol-1-yl)-N-(3-morpholin-4-ylpropyl)acetamide
CID 39854876
5-hydroxy-N-(3-morpholin-4-ylpropyl)pentanamide
CID 79199883

Frequently Asked Questions

What is the IUPAC name of 4-indol-1-yl-N-(3-morpholin-4-ylpropyl)-4-oxobutanamide?
The IUPAC name of 4-indol-1-yl-N-(3-morpholin-4-ylpropyl)-4-oxobutanamide (CID 84557544) is 4-indol-1-yl-N-(3-morpholin-4-ylpropyl)-4-oxobutanamide.
What is the SMILES notation for 4-indol-1-yl-N-(3-morpholin-4-ylpropyl)-4-oxobutanamide?
The canonical SMILES for 4-indol-1-yl-N-(3-morpholin-4-ylpropyl)-4-oxobutanamide is O=C(CCC(=O)n1ccc2ccccc21)NCCCN1CCOCC1.
What is the InChIKey of 4-indol-1-yl-N-(3-morpholin-4-ylpropyl)-4-oxobutanamide?
The InChIKey is UIXBKIINBASFSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c23-18(20-9-3-10-21-12-14-25-15-13-21)6-7-19(24)22-11-8-16-4-1-2-5-17(16)22/h1-2,4-5,8,11H,3,6-7,9-10,12-15H2,(H,20,23).
What are the key properties of 4-indol-1-yl-N-(3-morpholin-4-ylpropyl)-4-oxobutanamide?
4-indol-1-yl-N-(3-morpholin-4-ylpropyl)-4-oxobutanamide has a molecular weight of 343.43 g/mol, XLogP of 1.90, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-indol-1-yl-N-(3-morpholin-4-ylpropyl)-4-oxobutanamide is sourced from PubChem (CID 84557544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).