N-(3-morpholin-4-ylpropyl)-1-propan-2-ylindole-3-carboxamide

C19H27N3O2 — CID 71701659

IUPACN-(3-morpholin-4-ylpropyl)-1-propan-2-ylindole-3-carboxamide
SMILESCC(C)n1cc(C(=O)NCCCN2CCOCC2)c2ccccc21
InChIInChI=1S/C19H27N3O2/c1-15(2)22-14-17(16-6-3-4-7-18(16)22)19(23)20-8-5-9-21-10-12-24-13-11-21/h3-4,6-7,14-15H,5,8-13H2,1-2H3,(H,20,23)
InChIKeyLZUIUADQEXTFKJ-UHFFFAOYSA-N
MW329.44 g/mol
LogP2.67
Rot. Bonds6

About N-(3-morpholin-4-ylpropyl)-1-propan-2-ylindole-3-carboxamide

N-(3-morpholin-4-ylpropyl)-1-propan-2-ylindole-3-carboxamide (PubChem CID 71701659) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is N-(3-morpholin-4-ylpropyl)-1-propan-2-ylindole-3-carboxamide.

Molecular Properties

Compound NameN-(3-morpholin-4-ylpropyl)-1-propan-2-ylindole-3-carboxamide
PubChem CID71701659
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC NameN-(3-morpholin-4-ylpropyl)-1-propan-2-ylindole-3-carboxamide
SMILESCC(C)n1cc(C(=O)NCCCN2CCOCC2)c2ccccc21
InChIInChI=1S/C19H27N3O2/c1-15(2)22-14-17(16-6-3-4-7-18(16)22)19(23)20-8-5-9-21-10-12-24-13-11-21/h3-4,6-7,14-15H,5,8-13H2,1-2H3,(H,20,23)
InChIKeyLZUIUADQEXTFKJ-UHFFFAOYSA-N
XLogP2.67
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.67
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

N-(3-morpholin-4-ylpropyl)-2-propan-2-ylbenzamide
CID 143519809
2-oxo-N-(3-piperidin-1-ylpropyl)-2-(1-propan-2-ylindol-3-yl)acetamide;hydrochloride
CID 66739507
1-methyl-N-(3-morpholin-4-ylpropyl)pyrrolo[2,3-b]pyridine-3-carboxamide
CID 53162858
N-[2-(benzimidazol-1-yl)ethyl]-1-propan-2-ylindole-3-carboxamide
CID 71705073
N-(3-morpholin-4-ylpropyl)-9-oxofluorene-4-carboxamide
CID 2818270
4-methyl-N-(3-morpholin-4-ylpropyl)-1-propan-2-ylpyrrolo[3,2-b]indole-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155833248
1-N,4-N-bis(3-morpholin-4-ylpropyl)benzene-1,4-dicarboxamide;hydrochloride
CID 54609927
1-(1-propan-2-ylindol-3-yl)-3-(2-pyrrolidin-1-ylethylamino)propan-1-one
CID 90300339
3-methoxy-N-(3-morpholin-4-ylpropyl)naphthalene-2-carboxamide
CID 17462757
1-methyl-4-(3-morpholin-4-ylpropylcarbamoyl)pyrazole-3-carboxylic acid
CID 19624113
3-bromo-2-fluoro-N-(3-morpholin-4-ylpropyl)benzamide
CID 106547752
4-(2-methylpropyl)-N-(3-morpholin-4-ylpropyl)benzamide
CID 59001075

Frequently Asked Questions

What is the IUPAC name of N-(3-morpholin-4-ylpropyl)-1-propan-2-ylindole-3-carboxamide?
The IUPAC name of N-(3-morpholin-4-ylpropyl)-1-propan-2-ylindole-3-carboxamide (CID 71701659) is N-(3-morpholin-4-ylpropyl)-1-propan-2-ylindole-3-carboxamide.
What is the SMILES notation for N-(3-morpholin-4-ylpropyl)-1-propan-2-ylindole-3-carboxamide?
The canonical SMILES for N-(3-morpholin-4-ylpropyl)-1-propan-2-ylindole-3-carboxamide is CC(C)n1cc(C(=O)NCCCN2CCOCC2)c2ccccc21.
What is the InChIKey of N-(3-morpholin-4-ylpropyl)-1-propan-2-ylindole-3-carboxamide?
The InChIKey is LZUIUADQEXTFKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-15(2)22-14-17(16-6-3-4-7-18(16)22)19(23)20-8-5-9-21-10-12-24-13-11-21/h3-4,6-7,14-15H,5,8-13H2,1-2H3,(H,20,23).
What are the key properties of N-(3-morpholin-4-ylpropyl)-1-propan-2-ylindole-3-carboxamide?
N-(3-morpholin-4-ylpropyl)-1-propan-2-ylindole-3-carboxamide has a molecular weight of 329.44 g/mol, XLogP of 2.67, 6 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)-1-propan-2-ylindole-3-carboxamide is sourced from PubChem (CID 71701659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).