2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-benzylacetamide

C18H26N2O — CID 11930936

IUPAC2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-benzylacetamide
SMILESO=C(CN1CCC[C@H]2CCCC[C@@H]21)NCc1ccccc1
InChIInChI=1S/C18H26N2O/c21-18(19-13-15-7-2-1-3-8-15)14-20-12-6-10-16-9-4-5-11-17(16)20/h1-3,7-8,16-17H,4-6,9-14H2,(H,19,21)/t16-,17+/m1/s1
InChIKeyNSMJIFIJMMLSLY-SJORKVTESA-N
MW286.42 g/mol
LogP2.96
Rot. Bonds4

About 2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-benzylacetamide

2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-benzylacetamide (PubChem CID 11930936) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-benzylacetamide.

Molecular Properties

Compound Name2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-benzylacetamide
PubChem CID11930936
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-benzylacetamide
SMILESO=C(CN1CCC[C@H]2CCCC[C@@H]21)NCc1ccccc1
InChIInChI=1S/C18H26N2O/c21-18(19-13-15-7-2-1-3-8-15)14-20-12-6-10-16-9-4-5-11-17(16)20/h1-3,7-8,16-17H,4-6,9-14H2,(H,19,21)/t16-,17+/m1/s1
InChIKeyNSMJIFIJMMLSLY-SJORKVTESA-N
XLogP2.96
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-benzylacetamide with MolForge

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Related Compounds

(2R)-1-[2-(benzylamino)-2-oxoethyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 75482539
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CID 95576076
N-benzyl-2-[2-(methylaminomethyl)piperidin-1-yl]acetamide
CID 63249994
2-[2-(aminomethyl)pyrrolidin-1-yl]-N-benzylacetamide;hydrochloride
CID 119927076
N-benzyl-2-[2-(2-oxopropyl)pyrrolidin-1-yl]acetamide
CID 79547063
N-[(4-fluorophenyl)methyl]-2-[(2R)-2-phenylpyrrolidin-1-yl]acetamide
CID 41456048
N-[[4-(2-amino-2-oxoethoxy)phenyl]methyl]-2-[(2R)-2-[(2R)-1-benzylpyrrolidin-2-yl]pyrrolidin-1-yl]acetamide
CID 124726996
2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-(2-bromophenyl)acetamide
CID 11931200
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-phenylethanone
CID 65319775
2-[(2S)-2-[(2R)-1-acetylpyrrolidin-2-yl]pyrrolidin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 95319020
2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)acetic acid
CID 43409735
2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 11930988

Frequently Asked Questions

What is the IUPAC name of 2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-benzylacetamide?
The IUPAC name of 2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-benzylacetamide (CID 11930936) is 2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-benzylacetamide.
What is the SMILES notation for 2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-benzylacetamide?
The canonical SMILES for 2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-benzylacetamide is O=C(CN1CCC[C@H]2CCCC[C@@H]21)NCc1ccccc1.
What is the InChIKey of 2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-benzylacetamide?
The InChIKey is NSMJIFIJMMLSLY-SJORKVTESA-N. The full InChI is InChI=1S/C18H26N2O/c21-18(19-13-15-7-2-1-3-8-15)14-20-12-6-10-16-9-4-5-11-17(16)20/h1-3,7-8,16-17H,4-6,9-14H2,(H,19,21)/t16-,17+/m1/s1.
What are the key properties of 2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-benzylacetamide?
2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-benzylacetamide has a molecular weight of 286.42 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-benzylacetamide is sourced from PubChem (CID 11930936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).