(1R)-N-[(2S)-4-(furan-2-yl)-4-oxobutan-2-yl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide

C19H21NO3 — CID 97225481

IUPAC(1R)-N-[(2S)-4-(furan-2-yl)-4-oxobutan-2-yl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
SMILESC[C@@H](CC(=O)c1ccco1)NC(=O)[C@@H]1CCCc2ccccc21
InChIInChI=1S/C19H21NO3/c1-13(12-17(21)18-10-5-11-23-18)20-19(22)16-9-4-7-14-6-2-3-8-15(14)16/h2-3,5-6,8,10-11,13,16H,4,7,9,12H2,1H3,(H,20,22)/t13-,16+/m0/s1
InChIKeyRIBIRRSJWMUGOI-XJKSGUPXSA-N
MW311.38 g/mol
LogP3.48
Rot. Bonds5

About (1R)-N-[(2S)-4-(furan-2-yl)-4-oxobutan-2-yl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide

(1R)-N-[(2S)-4-(furan-2-yl)-4-oxobutan-2-yl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide (PubChem CID 97225481) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is (1R)-N-[(2S)-4-(furan-2-yl)-4-oxobutan-2-yl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide.

Molecular Properties

Compound Name(1R)-N-[(2S)-4-(furan-2-yl)-4-oxobutan-2-yl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
PubChem CID97225481
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Name(1R)-N-[(2S)-4-(furan-2-yl)-4-oxobutan-2-yl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
SMILESC[C@@H](CC(=O)c1ccco1)NC(=O)[C@@H]1CCCc2ccccc21
InChIInChI=1S/C19H21NO3/c1-13(12-17(21)18-10-5-11-23-18)20-19(22)16-9-4-7-14-6-2-3-8-15(14)16/h2-3,5-6,8,10-11,13,16H,4,7,9,12H2,1H3,(H,20,22)/t13-,16+/m0/s1
InChIKeyRIBIRRSJWMUGOI-XJKSGUPXSA-N
XLogP3.48
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,3-dihydro-1H-indene-1-carbonylamino)butanoic acid
CID 119221067
N-(4-hydroxy-3-methylbutan-2-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 115734909
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 79245874
N-(3-oxobutan-2-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 64996915
methyl 3-methyl-2-(1,2,3,4-tetrahydronaphthalene-1-carbonylamino)butanoate
CID 43423445
N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)furan-2-carboxamide
CID 42948429
N-[2-(methylamino)propyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 103512711
N-(1-bromobutan-2-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 114307725
N-(1-aminobutan-2-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 63755728
N-[1-(4-methylphenyl)ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 55576544
N-benzhydryl-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 57256640
N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 103716538

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[(2S)-4-(furan-2-yl)-4-oxobutan-2-yl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The IUPAC name of (1R)-N-[(2S)-4-(furan-2-yl)-4-oxobutan-2-yl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide (CID 97225481) is (1R)-N-[(2S)-4-(furan-2-yl)-4-oxobutan-2-yl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide.
What is the SMILES notation for (1R)-N-[(2S)-4-(furan-2-yl)-4-oxobutan-2-yl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The canonical SMILES for (1R)-N-[(2S)-4-(furan-2-yl)-4-oxobutan-2-yl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide is C[C@@H](CC(=O)c1ccco1)NC(=O)[C@@H]1CCCc2ccccc21.
What is the InChIKey of (1R)-N-[(2S)-4-(furan-2-yl)-4-oxobutan-2-yl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The InChIKey is RIBIRRSJWMUGOI-XJKSGUPXSA-N. The full InChI is InChI=1S/C19H21NO3/c1-13(12-17(21)18-10-5-11-23-18)20-19(22)16-9-4-7-14-6-2-3-8-15(14)16/h2-3,5-6,8,10-11,13,16H,4,7,9,12H2,1H3,(H,20,22)/t13-,16+/m0/s1.
What are the key properties of (1R)-N-[(2S)-4-(furan-2-yl)-4-oxobutan-2-yl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
(1R)-N-[(2S)-4-(furan-2-yl)-4-oxobutan-2-yl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide has a molecular weight of 311.38 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[(2S)-4-(furan-2-yl)-4-oxobutan-2-yl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide is sourced from PubChem (CID 97225481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).