2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butanamide

C15H22N2O3 — CID 62900078

IUPAC2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butanamide
SMILESCCC(C(N)=O)N1CCc2cc(OC)c(OC)cc2C1
InChIInChI=1S/C15H22N2O3/c1-4-12(15(16)18)17-6-5-10-7-13(19-2)14(20-3)8-11(10)9-17/h7-8,12H,4-6,9H2,1-3H3,(H2,16,18)
InChIKeyDNBBZZIKDUCBPP-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.33
Rot. Bonds5

About 2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butanamide

2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butanamide (PubChem CID 62900078) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butanamide.

Molecular Properties

Compound Name2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butanamide
PubChem CID62900078
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butanamide
SMILESCCC(C(N)=O)N1CCc2cc(OC)c(OC)cc2C1
InChIInChI=1S/C15H22N2O3/c1-4-12(15(16)18)17-6-5-10-7-13(19-2)14(20-3)8-11(10)9-17/h7-8,12H,4-6,9H2,1-3H3,(H2,16,18)
InChIKeyDNBBZZIKDUCBPP-UHFFFAOYSA-N
XLogP1.33
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butan-1-one
CID 43649394
methyl (2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)butanoate
CID 40804528
2-(7,8-dimethoxy-1,2,4,5-tetrahydro-3-benzazepin-3-yl)propanoic acid
CID 119134924
(2R)-2-amino-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)pentan-1-one
CID 103793923
3-amino-4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-4-oxobutanamide;hydrochloride
CID 119955874
2-(butan-2-ylamino)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 108993364
(2R)-2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-ethylphenyl)propanamide
CID 8513659
1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butan-2-ol
CID 60885340
3-amino-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one
CID 11625057
ethyl N-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]carbamate
CID 110370977
2-amino-4-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butanoic acid
CID 63028126
2-amino-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-methoxypropan-1-one;hydrochloride
CID 120983721

Frequently Asked Questions

What is the IUPAC name of 2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butanamide?
The IUPAC name of 2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butanamide (CID 62900078) is 2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butanamide.
What is the SMILES notation for 2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butanamide?
The canonical SMILES for 2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butanamide is CCC(C(N)=O)N1CCc2cc(OC)c(OC)cc2C1.
What is the InChIKey of 2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butanamide?
The InChIKey is DNBBZZIKDUCBPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-4-12(15(16)18)17-6-5-10-7-13(19-2)14(20-3)8-11(10)9-17/h7-8,12H,4-6,9H2,1-3H3,(H2,16,18).
What are the key properties of 2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butanamide?
2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butanamide has a molecular weight of 278.35 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)butanamide is sourced from PubChem (CID 62900078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).