N-(4-morpholin-4-ylbutyl)-2,3-dihydro-1H-indole-5-carboxamide

C17H25N3O2 — CID 71051708

IUPACN-(4-morpholin-4-ylbutyl)-2,3-dihydro-1H-indole-5-carboxamide
SMILESO=C(NCCCCN1CCOCC1)c1ccc2c(c1)CCN2
InChIInChI=1S/C17H25N3O2/c21-17(15-3-4-16-14(13-15)5-7-18-16)19-6-1-2-8-20-9-11-22-12-10-20/h3-4,13,18H,1-2,5-12H2,(H,19,21)
InChIKeyMGYOKHVTJHKOBI-UHFFFAOYSA-N
MW303.41 g/mol
LogP1.50
Rot. Bonds6

About N-(4-morpholin-4-ylbutyl)-2,3-dihydro-1H-indole-5-carboxamide

N-(4-morpholin-4-ylbutyl)-2,3-dihydro-1H-indole-5-carboxamide (PubChem CID 71051708) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is N-(4-morpholin-4-ylbutyl)-2,3-dihydro-1H-indole-5-carboxamide.

Molecular Properties

Compound NameN-(4-morpholin-4-ylbutyl)-2,3-dihydro-1H-indole-5-carboxamide
PubChem CID71051708
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC NameN-(4-morpholin-4-ylbutyl)-2,3-dihydro-1H-indole-5-carboxamide
SMILESO=C(NCCCCN1CCOCC1)c1ccc2c(c1)CCN2
InChIInChI=1S/C17H25N3O2/c21-17(15-3-4-16-14(13-15)5-7-18-16)19-6-1-2-8-20-9-11-22-12-10-20/h3-4,13,18H,1-2,5-12H2,(H,19,21)
InChIKeyMGYOKHVTJHKOBI-UHFFFAOYSA-N
XLogP1.50
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.50
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-pentyl-2,3-dihydro-1H-indole-5-carboxamide
CID 43142455
1-N,4-N-bis(3-morpholin-4-ylpropyl)benzene-1,4-dicarboxamide;hydrochloride
CID 54609927
3,4-difluoro-N-(4-morpholin-4-ylbutyl)benzamide
CID 51082239
N-pent-4-ynyl-2,3-dihydro-1H-indole-5-carboxamide
CID 106222041
2-(2-morpholin-4-ylethylamino)-1-(1,2,3,4-tetrahydroquinolin-6-yl)ethanone
CID 82257745
N-(2-acetamidoethyl)-2,3-dihydro-1H-indole-5-carboxamide
CID 43552874
N-[3-(2-hydroxyethoxy)propyl]-2,3-dihydro-1H-indole-5-carboxamide
CID 106310514
1-methylsulfonyl-N-(4-morpholin-4-ylbutyl)-2,3-dihydroindole-5-carboxamide
CID 55742076
3,4-dichloro-N-(3-morpholin-4-ylpropyl)benzamide
CID 3328171
3-hydroxy-N-(3-morpholin-4-ylpropyl)benzamide
CID 43236314
6-methyl-N-(3-morpholin-4-ylpropyl)naphthalene-2-carboxamide
CID 142825714
4-bromo-N-(3-morpholin-4-ylpropyl)benzamide
CID 2298646

Frequently Asked Questions

What is the IUPAC name of N-(4-morpholin-4-ylbutyl)-2,3-dihydro-1H-indole-5-carboxamide?
The IUPAC name of N-(4-morpholin-4-ylbutyl)-2,3-dihydro-1H-indole-5-carboxamide (CID 71051708) is N-(4-morpholin-4-ylbutyl)-2,3-dihydro-1H-indole-5-carboxamide.
What is the SMILES notation for N-(4-morpholin-4-ylbutyl)-2,3-dihydro-1H-indole-5-carboxamide?
The canonical SMILES for N-(4-morpholin-4-ylbutyl)-2,3-dihydro-1H-indole-5-carboxamide is O=C(NCCCCN1CCOCC1)c1ccc2c(c1)CCN2.
What is the InChIKey of N-(4-morpholin-4-ylbutyl)-2,3-dihydro-1H-indole-5-carboxamide?
The InChIKey is MGYOKHVTJHKOBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c21-17(15-3-4-16-14(13-15)5-7-18-16)19-6-1-2-8-20-9-11-22-12-10-20/h3-4,13,18H,1-2,5-12H2,(H,19,21).
What are the key properties of N-(4-morpholin-4-ylbutyl)-2,3-dihydro-1H-indole-5-carboxamide?
N-(4-morpholin-4-ylbutyl)-2,3-dihydro-1H-indole-5-carboxamide has a molecular weight of 303.41 g/mol, XLogP of 1.50, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-morpholin-4-ylbutyl)-2,3-dihydro-1H-indole-5-carboxamide is sourced from PubChem (CID 71051708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).