(3R)-3-(1H-indol-3-yl)-N-[(3R)-oxan-3-yl]pentanamide

C18H24N2O2 — CID 51497863

IUPAC(3R)-3-(1H-indol-3-yl)-N-[(3R)-oxan-3-yl]pentanamide
SMILESCC[C@H](CC(=O)N[C@@H]1CCCOC1)c1c[nH]c2ccccc12
InChIInChI=1S/C18H24N2O2/c1-2-13(10-18(21)20-14-6-5-9-22-12-14)16-11-19-17-8-4-3-7-15(16)17/h3-4,7-8,11,13-14,19H,2,5-6,9-10,12H2,1H3,(H,20,21)/t13-,14-/m1/s1
InChIKeyQFRKNHBHUSLQMX-ZIAGYGMSSA-N
MW300.40 g/mol
LogP3.35
Rot. Bonds5

About (3R)-3-(1H-indol-3-yl)-N-[(3R)-oxan-3-yl]pentanamide

(3R)-3-(1H-indol-3-yl)-N-[(3R)-oxan-3-yl]pentanamide (PubChem CID 51497863) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is (3R)-3-(1H-indol-3-yl)-N-[(3R)-oxan-3-yl]pentanamide.

Molecular Properties

Compound Name(3R)-3-(1H-indol-3-yl)-N-[(3R)-oxan-3-yl]pentanamide
PubChem CID51497863
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name(3R)-3-(1H-indol-3-yl)-N-[(3R)-oxan-3-yl]pentanamide
SMILESCC[C@H](CC(=O)N[C@@H]1CCCOC1)c1c[nH]c2ccccc12
InChIInChI=1S/C18H24N2O2/c1-2-13(10-18(21)20-14-6-5-9-22-12-14)16-11-19-17-8-4-3-7-15(16)17/h3-4,7-8,11,13-14,19H,2,5-6,9-10,12H2,1H3,(H,20,21)/t13-,14-/m1/s1
InChIKeyQFRKNHBHUSLQMX-ZIAGYGMSSA-N
XLogP3.35
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-(1H-indol-3-yl)pentanoic acid
CID 7446864
3-(1H-indol-3-yl)pentanoic acid
CID 12616752
1H-indol-3-yl(oxan-3-yl)methanamine
CID 112742639
N-(oxan-3-yl)-1H-indazole-3-carboxamide
CID 63611564
N-(oxan-3-yl)-2-phenoxyacetamide
CID 142540024
3-(1-cyclohexylpropyl)-1H-indole
CID 174511167
N-[1-[2-(1H-indol-3-yl)acetyl]piperidin-4-yl]-3-methylbutanamide
CID 110820676
4-(1H-indol-3-yl)-2-methylhexan-1-ol
CID 174277465
2-[1-(oxan-3-ylamino)propyl]phenol
CID 63359773
CID 178029923
CID 178029923
1-methyl-3-[(3R)-oxan-3-yl]-1-[(2R)-1-phenylbutan-2-yl]urea
CID 97219103
3-(1H-indol-3-yl)-N-(3-methylcyclohexyl)propanamide
CID 43420888

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(1H-indol-3-yl)-N-[(3R)-oxan-3-yl]pentanamide?
The IUPAC name of (3R)-3-(1H-indol-3-yl)-N-[(3R)-oxan-3-yl]pentanamide (CID 51497863) is (3R)-3-(1H-indol-3-yl)-N-[(3R)-oxan-3-yl]pentanamide.
What is the SMILES notation for (3R)-3-(1H-indol-3-yl)-N-[(3R)-oxan-3-yl]pentanamide?
The canonical SMILES for (3R)-3-(1H-indol-3-yl)-N-[(3R)-oxan-3-yl]pentanamide is CC[C@H](CC(=O)N[C@@H]1CCCOC1)c1c[nH]c2ccccc12.
What is the InChIKey of (3R)-3-(1H-indol-3-yl)-N-[(3R)-oxan-3-yl]pentanamide?
The InChIKey is QFRKNHBHUSLQMX-ZIAGYGMSSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-2-13(10-18(21)20-14-6-5-9-22-12-14)16-11-19-17-8-4-3-7-15(16)17/h3-4,7-8,11,13-14,19H,2,5-6,9-10,12H2,1H3,(H,20,21)/t13-,14-/m1/s1.
What are the key properties of (3R)-3-(1H-indol-3-yl)-N-[(3R)-oxan-3-yl]pentanamide?
(3R)-3-(1H-indol-3-yl)-N-[(3R)-oxan-3-yl]pentanamide has a molecular weight of 300.40 g/mol, XLogP of 3.35, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(1H-indol-3-yl)-N-[(3R)-oxan-3-yl]pentanamide is sourced from PubChem (CID 51497863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).