N-[(1S,2R)-2-(4-cyclohexyl-2-ethyl-1,3-dihydroisoquinolin-4-yl)cyclopentyl]acetamide

C24H36N2O — CID 159682516

IUPACN-[(1S,2R)-2-(4-cyclohexyl-2-ethyl-1,3-dihydroisoquinolin-4-yl)cyclopentyl]acetamide
SMILESCCN1Cc2ccccc2C(C2CCCCC2)([C@H]2CCC[C@@H]2NC(C)=O)C1
InChIInChI=1S/C24H36N2O/c1-3-26-16-19-10-7-8-13-21(19)24(17-26,20-11-5-4-6-12-20)22-14-9-15-23(22)25-18(2)27/h7-8,10,13,20,22-23H,3-6,9,11-12,14-17H2,1-2H3,(H,25,27)/t22-,23-,24?/m0/s1
InChIKeyYBNFSWWEIARMHG-NTZARQNWSA-N
MW368.57 g/mol
LogP4.64
Rot. Bonds4

About N-[(1S,2R)-2-(4-cyclohexyl-2-ethyl-1,3-dihydroisoquinolin-4-yl)cyclopentyl]acetamide

N-[(1S,2R)-2-(4-cyclohexyl-2-ethyl-1,3-dihydroisoquinolin-4-yl)cyclopentyl]acetamide (PubChem CID 159682516) has the molecular formula C24H36N2O and a molecular weight of 368.57 g/mol. Its IUPAC name is N-[(1S,2R)-2-(4-cyclohexyl-2-ethyl-1,3-dihydroisoquinolin-4-yl)cyclopentyl]acetamide.

Molecular Properties

Compound NameN-[(1S,2R)-2-(4-cyclohexyl-2-ethyl-1,3-dihydroisoquinolin-4-yl)cyclopentyl]acetamide
PubChem CID159682516
Molecular FormulaC24H36N2O
Molecular Weight368.57 g/mol
Exact Mass368.28
IUPAC NameN-[(1S,2R)-2-(4-cyclohexyl-2-ethyl-1,3-dihydroisoquinolin-4-yl)cyclopentyl]acetamide
SMILESCCN1Cc2ccccc2C(C2CCCCC2)([C@H]2CCC[C@@H]2NC(C)=O)C1
InChIInChI=1S/C24H36N2O/c1-3-26-16-19-10-7-8-13-21(19)24(17-26,20-11-5-4-6-12-20)22-14-9-15-23(22)25-18(2)27/h7-8,10,13,20,22-23H,3-6,9,11-12,14-17H2,1-2H3,(H,25,27)/t22-,23-,24?/m0/s1
InChIKeyYBNFSWWEIARMHG-NTZARQNWSA-N
XLogP4.64
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.57
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(1S,2R)-2-(4-cyclohexyl-2-ethyl-1,3-dihydroisoquinolin-4-yl)cyclopentyl]acetamide with MolForge

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Related Compounds

1-[(1S,2R)-2-[4-(1-benzylpiperidin-4-yl)-2,3-dihydro-1H-isoquinolin-4-yl]cyclopentyl]-3-methylurea
CID 138651485
methyl 4-(1-benzylpiperidin-4-yl)-4-cyclopentyl-1,3-dihydroisoquinoline-2-carboxylate
CID 145397379
4-cyclopentyl-2-ethyl-4-[1-[[2-(4-pyridin-4-ylsulfinylphenoxy)phenyl]methyl]piperidin-4-yl]-1,3-dihydroisoquinoline
CID 166724009
4-cyclopentyl-4-[1-[[1-(4-cyclopropylsulfanylphenyl)azetidin-3-yl]methyl]-2-methylpiperidin-4-yl]-2-ethyl-1,3-dihydroisoquinoline
CID 145397388
methanol;methyl 4-[1-[3-(4-cyanophenoxy)propyl]piperidin-4-yl]-4-cyclopentyl-1,3-dihydroisoquinoline-2-carboxylate
CID 145397436
N-[(1S,2S)-2-hydroxycycloheptyl]acetamide
CID 101001127
N-[(1S,2S)-2-ethylcycloheptyl]acetamide
CID 668218
spiro[bicyclo[4.1.0]heptane-7,7'-bicyclo[4.2.0]octa-1,3,5-triene]
CID 101167605
N-[(1S)-1'-(3-cyclohexylpropyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide
CID 59433181
N-[(1R,2R)-2-(benzylsulfamoylamino)cyclohexyl]acetamide
CID 44518327
N-[(1S)-1'-(cyclobutylmethyl)spiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]acetamide;molecular hydrogen
CID 159368131
(1R)-N-cycloheptyl-2-ethyl-3-oxo-1,4-dihydroisoquinoline-1-carboxamide
CID 95096121

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R)-2-(4-cyclohexyl-2-ethyl-1,3-dihydroisoquinolin-4-yl)cyclopentyl]acetamide?
The IUPAC name of N-[(1S,2R)-2-(4-cyclohexyl-2-ethyl-1,3-dihydroisoquinolin-4-yl)cyclopentyl]acetamide (CID 159682516) is N-[(1S,2R)-2-(4-cyclohexyl-2-ethyl-1,3-dihydroisoquinolin-4-yl)cyclopentyl]acetamide.
What is the SMILES notation for N-[(1S,2R)-2-(4-cyclohexyl-2-ethyl-1,3-dihydroisoquinolin-4-yl)cyclopentyl]acetamide?
The canonical SMILES for N-[(1S,2R)-2-(4-cyclohexyl-2-ethyl-1,3-dihydroisoquinolin-4-yl)cyclopentyl]acetamide is CCN1Cc2ccccc2C(C2CCCCC2)([C@H]2CCC[C@@H]2NC(C)=O)C1.
What is the InChIKey of N-[(1S,2R)-2-(4-cyclohexyl-2-ethyl-1,3-dihydroisoquinolin-4-yl)cyclopentyl]acetamide?
The InChIKey is YBNFSWWEIARMHG-NTZARQNWSA-N. The full InChI is InChI=1S/C24H36N2O/c1-3-26-16-19-10-7-8-13-21(19)24(17-26,20-11-5-4-6-12-20)22-14-9-15-23(22)25-18(2)27/h7-8,10,13,20,22-23H,3-6,9,11-12,14-17H2,1-2H3,(H,25,27)/t22-,23-,24?/m0/s1.
What are the key properties of N-[(1S,2R)-2-(4-cyclohexyl-2-ethyl-1,3-dihydroisoquinolin-4-yl)cyclopentyl]acetamide?
N-[(1S,2R)-2-(4-cyclohexyl-2-ethyl-1,3-dihydroisoquinolin-4-yl)cyclopentyl]acetamide has a molecular weight of 368.57 g/mol, XLogP of 4.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R)-2-(4-cyclohexyl-2-ethyl-1,3-dihydroisoquinolin-4-yl)cyclopentyl]acetamide is sourced from PubChem (CID 159682516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).