2-[[2-[(4aS,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-1-ium-1-yl]acetyl]amino]-N-cyclopentylbenzamide

C23H34N3O2+ — CID 11931481

IUPAC2-[[2-[(4aS,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-1-ium-1-yl]acetyl]amino]-N-cyclopentylbenzamide
SMILESO=C(C[NH+]1CCC[C@@H]2CCCC[C@@H]21)Nc1ccccc1C(=O)NC1CCCC1
InChIInChI=1S/C23H33N3O2/c27-22(16-26-15-7-9-17-8-1-6-14-21(17)26)25-20-13-5-4-12-19(20)23(28)24-18-10-2-3-11-18/h4-5,12-13,17-18,21H,1-3,6-11,14-16H2,(H,24,28)(H,25,27)/p+1/t17-,21-/m0/s1
InChIKeyRHUHXIQOBMIQAH-UWJYYQICSA-O
MW384.54 g/mol
LogP2.54
Rot. Bonds5

About 2-[[2-[(4aS,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-1-ium-1-yl]acetyl]amino]-N-cyclopentylbenzamide

2-[[2-[(4aS,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-1-ium-1-yl]acetyl]amino]-N-cyclopentylbenzamide (PubChem CID 11931481) has the molecular formula C23H34N3O2+ and a molecular weight of 384.54 g/mol. Its IUPAC name is 2-[[2-[(4aS,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-1-ium-1-yl]acetyl]amino]-N-cyclopentylbenzamide.

Molecular Properties

Compound Name2-[[2-[(4aS,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-1-ium-1-yl]acetyl]amino]-N-cyclopentylbenzamide
PubChem CID11931481
Molecular FormulaC23H34N3O2+
Molecular Weight384.54 g/mol
Exact Mass384.26
IUPAC Name2-[[2-[(4aS,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-1-ium-1-yl]acetyl]amino]-N-cyclopentylbenzamide
SMILESO=C(C[NH+]1CCC[C@@H]2CCCC[C@@H]21)Nc1ccccc1C(=O)NC1CCCC1
InChIInChI=1S/C23H33N3O2/c27-22(16-26-15-7-9-17-8-1-6-14-21(17)26)25-20-13-5-4-12-19(20)23(28)24-18-10-2-3-11-18/h4-5,12-13,17-18,21H,1-3,6-11,14-16H2,(H,24,28)(H,25,27)/p+1/t17-,21-/m0/s1
InChIKeyRHUHXIQOBMIQAH-UWJYYQICSA-O
XLogP2.54
TPSA62.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.54
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 2-[[2-[(4aS,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-1-ium-1-yl]acetyl]amino]-N-cyclopentylbenzamide with MolForge

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Related Compounds

2-[[2-(azocan-1-ium-1-yl)acetyl]amino]-N-cyclopentylbenzamide
CID 8583632
2-[(4aS,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-1-ium-1-yl]-N-(2-methoxyphenyl)acetamide
CID 11931097
(3R)-1-[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl]piperidin-1-ium-3-carboxamide
CID 9305182
N-cyclopentyl-2-[(2-methylsulfanylacetyl)amino]benzamide
CID 26084225
2-[[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl]amino]-N-cyclopropylbenzamide
CID 18144272
2-[(2-cyclohexylacetyl)amino]-N-cyclopropylbenzamide
CID 34280929
N-cyclopentyl-2-[[2-(2-methylphenyl)acetyl]amino]benzamide
CID 17476217
5-[2-(cyclohexylcarbamoyl)anilino]-5-oxopentanoic acid
CID 4949663
N-cyclopentyl-2-[[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]amino]benzamide
CID 7784903
2-[(4aS,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-1-ium-1-yl]-N-(4-methylphenyl)acetamide
CID 11931005
N-cyclopentyl-2-[[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]acetyl]amino]benzamide
CID 9053688
N-cyclohexyl-2-[[2-(4-phenylphenyl)acetyl]amino]benzamide
CID 100515269

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(4aS,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-1-ium-1-yl]acetyl]amino]-N-cyclopentylbenzamide?
The IUPAC name of 2-[[2-[(4aS,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-1-ium-1-yl]acetyl]amino]-N-cyclopentylbenzamide (CID 11931481) is 2-[[2-[(4aS,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-1-ium-1-yl]acetyl]amino]-N-cyclopentylbenzamide.
What is the SMILES notation for 2-[[2-[(4aS,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-1-ium-1-yl]acetyl]amino]-N-cyclopentylbenzamide?
The canonical SMILES for 2-[[2-[(4aS,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-1-ium-1-yl]acetyl]amino]-N-cyclopentylbenzamide is O=C(C[NH+]1CCC[C@@H]2CCCC[C@@H]21)Nc1ccccc1C(=O)NC1CCCC1.
What is the InChIKey of 2-[[2-[(4aS,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-1-ium-1-yl]acetyl]amino]-N-cyclopentylbenzamide?
The InChIKey is RHUHXIQOBMIQAH-UWJYYQICSA-O. The full InChI is InChI=1S/C23H33N3O2/c27-22(16-26-15-7-9-17-8-1-6-14-21(17)26)25-20-13-5-4-12-19(20)23(28)24-18-10-2-3-11-18/h4-5,12-13,17-18,21H,1-3,6-11,14-16H2,(H,24,28)(H,25,27)/p+1/t17-,21-/m0/s1.
What are the key properties of 2-[[2-[(4aS,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-1-ium-1-yl]acetyl]amino]-N-cyclopentylbenzamide?
2-[[2-[(4aS,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-1-ium-1-yl]acetyl]amino]-N-cyclopentylbenzamide has a molecular weight of 384.54 g/mol, XLogP of 2.54, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(4aS,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-1-ium-1-yl]acetyl]amino]-N-cyclopentylbenzamide is sourced from PubChem (CID 11931481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).