(2S,4R,4aS,8aS)-N-[(2S)-butan-2-yl]-2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-4-carboxamide

C15H28N2O — CID 124823484

IUPAC(2S,4R,4aS,8aS)-N-[(2S)-butan-2-yl]-2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-4-carboxamide
SMILESCC[C@H](C)NC(=O)[C@@H]1C[C@H](C)N[C@H]2CCCC[C@H]21
InChIInChI=1S/C15H28N2O/c1-4-10(2)17-15(18)13-9-11(3)16-14-8-6-5-7-12(13)14/h10-14,16H,4-9H2,1-3H3,(H,17,18)/t10-,11-,12-,13+,14-/m0/s1
InChIKeyAWCPYUJDWBZFIX-YHQUGGNUSA-N
MW252.40 g/mol
LogP2.46
Rot. Bonds3

About (2S,4R,4aS,8aS)-N-[(2S)-butan-2-yl]-2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-4-carboxamide

(2S,4R,4aS,8aS)-N-[(2S)-butan-2-yl]-2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-4-carboxamide (PubChem CID 124823484) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is (2S,4R,4aS,8aS)-N-[(2S)-butan-2-yl]-2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-4-carboxamide.

Molecular Properties

Compound Name(2S,4R,4aS,8aS)-N-[(2S)-butan-2-yl]-2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-4-carboxamide
PubChem CID124823484
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name(2S,4R,4aS,8aS)-N-[(2S)-butan-2-yl]-2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-4-carboxamide
SMILESCC[C@H](C)NC(=O)[C@@H]1C[C@H](C)N[C@H]2CCCC[C@H]21
InChIInChI=1S/C15H28N2O/c1-4-10(2)17-15(18)13-9-11(3)16-14-8-6-5-7-12(13)14/h10-14,16H,4-9H2,1-3H3,(H,17,18)/t10-,11-,12-,13+,14-/m0/s1
InChIKeyAWCPYUJDWBZFIX-YHQUGGNUSA-N
XLogP2.46
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2S,4R,4aS,8aS)-N-[(2S)-butan-2-yl]-2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S,4R,4aS,8aS)-N-[(2S)-butan-2-yl]-2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-4-carboxamide?
The IUPAC name of (2S,4R,4aS,8aS)-N-[(2S)-butan-2-yl]-2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-4-carboxamide (CID 124823484) is (2S,4R,4aS,8aS)-N-[(2S)-butan-2-yl]-2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-4-carboxamide.
What is the SMILES notation for (2S,4R,4aS,8aS)-N-[(2S)-butan-2-yl]-2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-4-carboxamide?
The canonical SMILES for (2S,4R,4aS,8aS)-N-[(2S)-butan-2-yl]-2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-4-carboxamide is CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)N[C@H]2CCCC[C@H]21.
What is the InChIKey of (2S,4R,4aS,8aS)-N-[(2S)-butan-2-yl]-2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-4-carboxamide?
The InChIKey is AWCPYUJDWBZFIX-YHQUGGNUSA-N. The full InChI is InChI=1S/C15H28N2O/c1-4-10(2)17-15(18)13-9-11(3)16-14-8-6-5-7-12(13)14/h10-14,16H,4-9H2,1-3H3,(H,17,18)/t10-,11-,12-,13+,14-/m0/s1.
What are the key properties of (2S,4R,4aS,8aS)-N-[(2S)-butan-2-yl]-2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-4-carboxamide?
(2S,4R,4aS,8aS)-N-[(2S)-butan-2-yl]-2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-4-carboxamide has a molecular weight of 252.40 g/mol, XLogP of 2.46, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R,4aS,8aS)-N-[(2S)-butan-2-yl]-2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-4-carboxamide is sourced from PubChem (CID 124823484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).