N-[1-(oxan-4-yl)ethyl]-2,3-dihydro-1H-indole-5-carboxamide

C16H22N2O2 — CID 104938337

IUPACN-[1-(oxan-4-yl)ethyl]-2,3-dihydro-1H-indole-5-carboxamide
SMILESCC(NC(=O)c1ccc2c(c1)CCN2)C1CCOCC1
InChIInChI=1S/C16H22N2O2/c1-11(12-5-8-20-9-6-12)18-16(19)14-2-3-15-13(10-14)4-7-17-15/h2-3,10-12,17H,4-9H2,1H3,(H,18,19)
InChIKeyMSWVPDPXQHFPPJ-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.20
Rot. Bonds3

About N-[1-(oxan-4-yl)ethyl]-2,3-dihydro-1H-indole-5-carboxamide

N-[1-(oxan-4-yl)ethyl]-2,3-dihydro-1H-indole-5-carboxamide (PubChem CID 104938337) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is N-[1-(oxan-4-yl)ethyl]-2,3-dihydro-1H-indole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(oxan-4-yl)ethyl]-2,3-dihydro-1H-indole-5-carboxamide
PubChem CID104938337
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC NameN-[1-(oxan-4-yl)ethyl]-2,3-dihydro-1H-indole-5-carboxamide
SMILESCC(NC(=O)c1ccc2c(c1)CCN2)C1CCOCC1
InChIInChI=1S/C16H22N2O2/c1-11(12-5-8-20-9-6-12)18-16(19)14-2-3-15-13(10-14)4-7-17-15/h2-3,10-12,17H,4-9H2,1H3,(H,18,19)
InChIKeyMSWVPDPXQHFPPJ-UHFFFAOYSA-N
XLogP2.20
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-cyclohexylethyl]-2,3-dihydro-1H-indole-5-carboxamide
CID 81385612
N-[1-(oxolan-2-yl)ethyl]-2,3-dihydro-1H-indole-5-carboxamide
CID 43533899
N-[(1S)-1-cyclohexylethyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 81389029
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2,3-dihydro-1H-indole-5-carboxamide
CID 43325579
3-amino-4-methyl-N-[1-(oxan-4-yl)ethyl]benzamide
CID 103812285
N-(oxolan-3-yl)-2,3-dihydro-1H-indole-5-carboxamide
CID 80712536
methyl 2-(2,3-dihydro-1H-indole-5-carbonylamino)propanoate
CID 60780386
N-(4-hydroxybutan-2-yl)-2,3-dihydro-1H-indole-5-carboxamide
CID 83177553
3-hydroxy-N-[1-(oxan-4-yl)ethyl]benzamide
CID 113368337
N-cyclopropyl-2,3-dihydro-1H-indole-5-carboxamide
CID 43142413
N-(1-hydroxy-4-methylpentan-3-yl)-2,3-dihydro-1H-indole-5-carboxamide
CID 104938314
(2S)-2-(2,3-dihydro-1H-indole-5-carbonylamino)-3-methylpentanoic acid
CID 61174014

Frequently Asked Questions

What is the IUPAC name of N-[1-(oxan-4-yl)ethyl]-2,3-dihydro-1H-indole-5-carboxamide?
The IUPAC name of N-[1-(oxan-4-yl)ethyl]-2,3-dihydro-1H-indole-5-carboxamide (CID 104938337) is N-[1-(oxan-4-yl)ethyl]-2,3-dihydro-1H-indole-5-carboxamide.
What is the SMILES notation for N-[1-(oxan-4-yl)ethyl]-2,3-dihydro-1H-indole-5-carboxamide?
The canonical SMILES for N-[1-(oxan-4-yl)ethyl]-2,3-dihydro-1H-indole-5-carboxamide is CC(NC(=O)c1ccc2c(c1)CCN2)C1CCOCC1.
What is the InChIKey of N-[1-(oxan-4-yl)ethyl]-2,3-dihydro-1H-indole-5-carboxamide?
The InChIKey is MSWVPDPXQHFPPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-11(12-5-8-20-9-6-12)18-16(19)14-2-3-15-13(10-14)4-7-17-15/h2-3,10-12,17H,4-9H2,1H3,(H,18,19).
What are the key properties of N-[1-(oxan-4-yl)ethyl]-2,3-dihydro-1H-indole-5-carboxamide?
N-[1-(oxan-4-yl)ethyl]-2,3-dihydro-1H-indole-5-carboxamide has a molecular weight of 274.36 g/mol, XLogP of 2.20, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(oxan-4-yl)ethyl]-2,3-dihydro-1H-indole-5-carboxamide is sourced from PubChem (CID 104938337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).