N-(cyclopropylmethyl)-5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-methyl-5-oxopentanamide

C19H26N2O2 — CID 95748596

IUPACN-(cyclopropylmethyl)-5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-methyl-5-oxopentanamide
SMILESCN(CC1CC1)C(=O)CCCC(=O)N1CCc2ccccc2C1
InChIInChI=1S/C19H26N2O2/c1-20(13-15-9-10-15)18(22)7-4-8-19(23)21-12-11-16-5-2-3-6-17(16)14-21/h2-3,5-6,15H,4,7-14H2,1H3
InChIKeyIVOFVUKGEKVSOQ-UHFFFAOYSA-N
MW314.43 g/mol
LogP2.61
Rot. Bonds6

About N-(cyclopropylmethyl)-5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-methyl-5-oxopentanamide

N-(cyclopropylmethyl)-5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-methyl-5-oxopentanamide (PubChem CID 95748596) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-methyl-5-oxopentanamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-methyl-5-oxopentanamide
PubChem CID95748596
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC NameN-(cyclopropylmethyl)-5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-methyl-5-oxopentanamide
SMILESCN(CC1CC1)C(=O)CCCC(=O)N1CCc2ccccc2C1
InChIInChI=1S/C19H26N2O2/c1-20(13-15-9-10-15)18(22)7-4-8-19(23)21-12-11-16-5-2-3-6-17(16)14-21/h2-3,5-6,15H,4,7-14H2,1H3
InChIKeyIVOFVUKGEKVSOQ-UHFFFAOYSA-N
XLogP2.61
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-(3,4-dihydro-1H-isoquinolin-2-yl)-5-oxopentanoic acid
CID 27396946
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(dimethylamino)ethanone
CID 4016207
ethyl 6-(3,4-dihydro-1H-isoquinolin-2-yl)-6-oxohexanoate
CID 13101561
1-(1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)-4-(3,4-dihydro-1H-isoquinolin-2-yl)butane-1,4-dione
CID 170265341
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-hydroxypropan-1-one
CID 82112750
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(N-methylanilino)propan-1-one
CID 109024426
2-[3-aminopropyl(methyl)amino]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 81493173
4-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxobutanenitrile
CID 82113579
2-(cyclopropylmethylamino)-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone;hydrochloride
CID 71940480
N-benzyl-3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-methyl-3-oxopropanamide
CID 108946045
N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]-N-propan-2-ylacetamide
CID 113115154
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[2-(dimethylamino)ethylamino]propan-1-one
CID 109016367

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-methyl-5-oxopentanamide?
The IUPAC name of N-(cyclopropylmethyl)-5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-methyl-5-oxopentanamide (CID 95748596) is N-(cyclopropylmethyl)-5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-methyl-5-oxopentanamide.
What is the SMILES notation for N-(cyclopropylmethyl)-5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-methyl-5-oxopentanamide?
The canonical SMILES for N-(cyclopropylmethyl)-5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-methyl-5-oxopentanamide is CN(CC1CC1)C(=O)CCCC(=O)N1CCc2ccccc2C1.
What is the InChIKey of N-(cyclopropylmethyl)-5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-methyl-5-oxopentanamide?
The InChIKey is IVOFVUKGEKVSOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2/c1-20(13-15-9-10-15)18(22)7-4-8-19(23)21-12-11-16-5-2-3-6-17(16)14-21/h2-3,5-6,15H,4,7-14H2,1H3.
What are the key properties of N-(cyclopropylmethyl)-5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-methyl-5-oxopentanamide?
N-(cyclopropylmethyl)-5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-methyl-5-oxopentanamide has a molecular weight of 314.43 g/mol, XLogP of 2.61, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-methyl-5-oxopentanamide is sourced from PubChem (CID 95748596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).