N-[(1-cyclohexyl-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)methyl]acetamide

C19H28N2O — CID 59396483

IUPACN-[(1-cyclohexyl-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)methyl]acetamide
SMILESCC(=O)NCc1ccc2c(c1)C(C1CCCCC1)N(C)CC2
InChIInChI=1S/C19H28N2O/c1-14(22)20-13-15-8-9-16-10-11-21(2)19(18(16)12-15)17-6-4-3-5-7-17/h8-9,12,17,19H,3-7,10-11,13H2,1-2H3,(H,20,22)
InChIKeyDXIPYWCWFHUOFV-UHFFFAOYSA-N
MW300.45 g/mol
LogP3.43
Rot. Bonds3

About N-[(1-cyclohexyl-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)methyl]acetamide

N-[(1-cyclohexyl-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)methyl]acetamide (PubChem CID 59396483) has the molecular formula C19H28N2O and a molecular weight of 300.45 g/mol. Its IUPAC name is N-[(1-cyclohexyl-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)methyl]acetamide.

Molecular Properties

Compound NameN-[(1-cyclohexyl-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)methyl]acetamide
PubChem CID59396483
Molecular FormulaC19H28N2O
Molecular Weight300.45 g/mol
Exact Mass300.22
IUPAC NameN-[(1-cyclohexyl-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)methyl]acetamide
SMILESCC(=O)NCc1ccc2c(c1)C(C1CCCCC1)N(C)CC2
InChIInChI=1S/C19H28N2O/c1-14(22)20-13-15-8-9-16-10-11-21(2)19(18(16)12-15)17-6-4-3-5-7-17/h8-9,12,17,19H,3-7,10-11,13H2,1-2H3,(H,20,22)
InChIKeyDXIPYWCWFHUOFV-UHFFFAOYSA-N
XLogP3.43
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(1-cyclohexyl-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)methyl]acetamide with MolForge

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Related Compounds

N-[[2-(2-chloroacetyl)-1-cyclohexyl-3,4-dihydro-1H-isoquinolin-7-yl]methyl]acetamide
CID 67537276
(NZ)-N-[(1-cyclohexyl-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)methylidene]hydroxylamine
CID 59396244
N-[[(3S,4R)-3-hydroxy-2,2-dimethyl-4-(2-oxopyrrolidin-1-yl)-3,4-dihydrochromen-6-yl]methyl]acetamide
CID 67876043
N-[[1-(1-ethylpiperidin-4-yl)-2,3-dihydroindol-6-yl]methyl]acetamide
CID 174378639
N-[(4-cyclopentylphenyl)methyl]acetamide
CID 66695215
N-[(2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]acetamide
CID 21030190
methyl 2-[[4-(acetamidomethyl)phenyl]methyl]-3,4-dihydro-1H-isoquinoline-1-carboxylate
CID 166719002
2-chloro-1-(7-chloro-1-cyclohexyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 59396503
N-[(5-methyl-1-phenyl-1,3,4,6-tetrahydro-2,5-benzoxazocin-8-yl)methyl]acetamide
CID 58592489
N-[[5-[(2S)-2-cyclohexylazepane-1-carbonyl]furan-2-yl]methyl]acetamide
CID 97028510
N-[(3,4-difluorophenyl)methyl]-1-methylazepane-2-carboxamide
CID 72877122
1-(1-cyclohexyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-[[(2S)-2-hydroxycyclohexyl]methylamino]ethanone
CID 70923031

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclohexyl-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)methyl]acetamide?
The IUPAC name of N-[(1-cyclohexyl-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)methyl]acetamide (CID 59396483) is N-[(1-cyclohexyl-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)methyl]acetamide.
What is the SMILES notation for N-[(1-cyclohexyl-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)methyl]acetamide?
The canonical SMILES for N-[(1-cyclohexyl-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)methyl]acetamide is CC(=O)NCc1ccc2c(c1)C(C1CCCCC1)N(C)CC2.
What is the InChIKey of N-[(1-cyclohexyl-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)methyl]acetamide?
The InChIKey is DXIPYWCWFHUOFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O/c1-14(22)20-13-15-8-9-16-10-11-21(2)19(18(16)12-15)17-6-4-3-5-7-17/h8-9,12,17,19H,3-7,10-11,13H2,1-2H3,(H,20,22).
What are the key properties of N-[(1-cyclohexyl-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)methyl]acetamide?
N-[(1-cyclohexyl-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)methyl]acetamide has a molecular weight of 300.45 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclohexyl-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)methyl]acetamide is sourced from PubChem (CID 59396483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).