N-benzyl-N-[3-(dimethylamino)propyl]-2-[(2-ethyl-3,4-dihydro-1H-isoquinolin-8-yl)amino]acetamide

C25H36N4O — CID 130273288

IUPACN-benzyl-N-[3-(dimethylamino)propyl]-2-[(2-ethyl-3,4-dihydro-1H-isoquinolin-8-yl)amino]acetamide
SMILESCCN1CCc2cccc(NCC(=O)N(CCCN(C)C)Cc3ccccc3)c2C1
InChIInChI=1S/C25H36N4O/c1-4-28-17-14-22-12-8-13-24(23(22)20-28)26-18-25(30)29(16-9-15-27(2)3)19-21-10-6-5-7-11-21/h5-8,10-13,26H,4,9,14-20H2,1-3H3
InChIKeyATMMUFRMBQNKNT-UHFFFAOYSA-N
MW408.59 g/mol
LogP3.46
Rot. Bonds10

About N-benzyl-N-[3-(dimethylamino)propyl]-2-[(2-ethyl-3,4-dihydro-1H-isoquinolin-8-yl)amino]acetamide

N-benzyl-N-[3-(dimethylamino)propyl]-2-[(2-ethyl-3,4-dihydro-1H-isoquinolin-8-yl)amino]acetamide (PubChem CID 130273288) has the molecular formula C25H36N4O and a molecular weight of 408.59 g/mol. Its IUPAC name is N-benzyl-N-[3-(dimethylamino)propyl]-2-[(2-ethyl-3,4-dihydro-1H-isoquinolin-8-yl)amino]acetamide.

Molecular Properties

Compound NameN-benzyl-N-[3-(dimethylamino)propyl]-2-[(2-ethyl-3,4-dihydro-1H-isoquinolin-8-yl)amino]acetamide
PubChem CID130273288
Molecular FormulaC25H36N4O
Molecular Weight408.59 g/mol
Exact Mass408.29
IUPAC NameN-benzyl-N-[3-(dimethylamino)propyl]-2-[(2-ethyl-3,4-dihydro-1H-isoquinolin-8-yl)amino]acetamide
SMILESCCN1CCc2cccc(NCC(=O)N(CCCN(C)C)Cc3ccccc3)c2C1
InChIInChI=1S/C25H36N4O/c1-4-28-17-14-22-12-8-13-24(23(22)20-28)26-18-25(30)29(16-9-15-27(2)3)19-21-10-6-5-7-11-21/h5-8,10-13,26H,4,9,14-20H2,1-3H3
InChIKeyATMMUFRMBQNKNT-UHFFFAOYSA-N
XLogP3.46
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.59
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-benzoyl-3,4-dihydro-1H-isoquinolin-5-yl)amino]-N-benzyl-N-[2-(dimethylamino)ethyl]acetamide
CID 130272888
N-[(2-chlorophenyl)methyl]-2-[[2-(cyclopropylmethyl)-3,4-dihydro-1H-isoquinolin-5-yl]amino]-N-[2-(dimethylamino)ethyl]acetamide
CID 86343744
2-[[2-(cyclopropanecarbonyl)-3,4-dihydro-1H-isoquinolin-8-yl]amino]-N-[2-(dimethylamino)ethyl]-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide
CID 121283380
N-benzyl-2-[(2-propanoyl-3,4-dihydro-1H-isoquinolin-5-yl)amino]-N-(pyridin-2-ylmethyl)acetamide
CID 130273323
N-[2-(dimethylamino)ethyl]-2-[(2-ethyl-3-oxo-1,4-dihydroisoquinolin-8-yl)amino]-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide
CID 130273316
2-anilino-N-benzyl-N-propylacetamide;hydrochloride
CID 119681623
N-benzyl-N-[2-(dimethylamino)ethyl]-2-(methylamino)acetamide
CID 54869876
N-benzyl-N-ethyl-2-(2-phenoxyanilino)acetamide
CID 108999057
N-benzyl-N-[2-(dimethylamino)ethyl]-2-(methylamino)acetamide;hydrochloride
CID 120703570
N-benzyl-2-(dimethylamino)-N-dodecylacetamide
CID 172759301
1-(2-ethyl-3,4-dihydro-1H-isoquinolin-8-yl)propan-2-one
CID 84785583
N-[2-[cyclopentyl(methyl)amino]ethyl]-2-[[2-(cyclopropylmethyl)-3,4-dihydro-1H-isoquinolin-5-yl]amino]-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide
CID 121283352

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[3-(dimethylamino)propyl]-2-[(2-ethyl-3,4-dihydro-1H-isoquinolin-8-yl)amino]acetamide?
The IUPAC name of N-benzyl-N-[3-(dimethylamino)propyl]-2-[(2-ethyl-3,4-dihydro-1H-isoquinolin-8-yl)amino]acetamide (CID 130273288) is N-benzyl-N-[3-(dimethylamino)propyl]-2-[(2-ethyl-3,4-dihydro-1H-isoquinolin-8-yl)amino]acetamide.
What is the SMILES notation for N-benzyl-N-[3-(dimethylamino)propyl]-2-[(2-ethyl-3,4-dihydro-1H-isoquinolin-8-yl)amino]acetamide?
The canonical SMILES for N-benzyl-N-[3-(dimethylamino)propyl]-2-[(2-ethyl-3,4-dihydro-1H-isoquinolin-8-yl)amino]acetamide is CCN1CCc2cccc(NCC(=O)N(CCCN(C)C)Cc3ccccc3)c2C1.
What is the InChIKey of N-benzyl-N-[3-(dimethylamino)propyl]-2-[(2-ethyl-3,4-dihydro-1H-isoquinolin-8-yl)amino]acetamide?
The InChIKey is ATMMUFRMBQNKNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N4O/c1-4-28-17-14-22-12-8-13-24(23(22)20-28)26-18-25(30)29(16-9-15-27(2)3)19-21-10-6-5-7-11-21/h5-8,10-13,26H,4,9,14-20H2,1-3H3.
What are the key properties of N-benzyl-N-[3-(dimethylamino)propyl]-2-[(2-ethyl-3,4-dihydro-1H-isoquinolin-8-yl)amino]acetamide?
N-benzyl-N-[3-(dimethylamino)propyl]-2-[(2-ethyl-3,4-dihydro-1H-isoquinolin-8-yl)amino]acetamide has a molecular weight of 408.59 g/mol, XLogP of 3.46, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[3-(dimethylamino)propyl]-2-[(2-ethyl-3,4-dihydro-1H-isoquinolin-8-yl)amino]acetamide is sourced from PubChem (CID 130273288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).