N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methylbutyl]-6,7-dihydro-4H-furo[3,4-c]pyran-1-carboxamide

C22H28N2O3 — CID 126801333

IUPACN-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methylbutyl]-6,7-dihydro-4H-furo[3,4-c]pyran-1-carboxamide
SMILESCC(C)C(CNC(=O)c1occ2c1CCOC2)N1CCc2ccccc2C1
InChIInChI=1S/C22H28N2O3/c1-15(2)20(24-9-7-16-5-3-4-6-17(16)12-24)11-23-22(25)21-19-8-10-26-13-18(19)14-27-21/h3-6,14-15,20H,7-13H2,1-2H3,(H,23,25)
InChIKeyNGLVSDXSKXZLLM-UHFFFAOYSA-N
MW368.48 g/mol
LogP3.16
Rot. Bonds5

About N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methylbutyl]-6,7-dihydro-4H-furo[3,4-c]pyran-1-carboxamide

N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methylbutyl]-6,7-dihydro-4H-furo[3,4-c]pyran-1-carboxamide (PubChem CID 126801333) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methylbutyl]-6,7-dihydro-4H-furo[3,4-c]pyran-1-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methylbutyl]-6,7-dihydro-4H-furo[3,4-c]pyran-1-carboxamide
PubChem CID126801333
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC NameN-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methylbutyl]-6,7-dihydro-4H-furo[3,4-c]pyran-1-carboxamide
SMILESCC(C)C(CNC(=O)c1occ2c1CCOC2)N1CCc2ccccc2C1
InChIInChI=1S/C22H28N2O3/c1-15(2)20(24-9-7-16-5-3-4-6-17(16)12-24)11-23-22(25)21-19-8-10-26-13-18(19)14-27-21/h3-6,14-15,20H,7-13H2,1-2H3,(H,23,25)
InChIKeyNGLVSDXSKXZLLM-UHFFFAOYSA-N
XLogP3.16
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methylbutyl]-3-phenylurea
CID 110403233
N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methylbutyl]-2-methylsulfanylpyridine-3-carboxamide
CID 32843065
1-N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methylbutyl]piperidine-1,4-dicarboxamide
CID 33413147
4-[2-[[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methylbutyl]amino]-2-oxoethoxy]benzamide
CID 95234085
N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-4-fluorobenzamide
CID 32923012
N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methylbutyl]-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide
CID 135930642
2-(4-acetyl-2-methoxyphenoxy)-N-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methylbutyl]acetamide
CID 32841309
4-[[[N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methylbutyl]-N'-methylcarbamimidoyl]amino]methyl]-N,N-dimethylbenzamide;hydroiodide
CID 111872826
2-[4-[2-[[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methylbutyl]amino]-2-oxoethoxy]phenyl]acetamide
CID 95586206
1-(cyclopropylmethyl)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methylbutyl]-2-methylguanidine;hydroiodide
CID 111867315
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-methylpropanamide
CID 47163208
2-methyl-N-(3-methyl-2-morpholin-4-ylbutyl)benzamide
CID 110402733

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methylbutyl]-6,7-dihydro-4H-furo[3,4-c]pyran-1-carboxamide?
The IUPAC name of N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methylbutyl]-6,7-dihydro-4H-furo[3,4-c]pyran-1-carboxamide (CID 126801333) is N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methylbutyl]-6,7-dihydro-4H-furo[3,4-c]pyran-1-carboxamide.
What is the SMILES notation for N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methylbutyl]-6,7-dihydro-4H-furo[3,4-c]pyran-1-carboxamide?
The canonical SMILES for N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methylbutyl]-6,7-dihydro-4H-furo[3,4-c]pyran-1-carboxamide is CC(C)C(CNC(=O)c1occ2c1CCOC2)N1CCc2ccccc2C1.
What is the InChIKey of N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methylbutyl]-6,7-dihydro-4H-furo[3,4-c]pyran-1-carboxamide?
The InChIKey is NGLVSDXSKXZLLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-15(2)20(24-9-7-16-5-3-4-6-17(16)12-24)11-23-22(25)21-19-8-10-26-13-18(19)14-27-21/h3-6,14-15,20H,7-13H2,1-2H3,(H,23,25).
What are the key properties of N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methylbutyl]-6,7-dihydro-4H-furo[3,4-c]pyran-1-carboxamide?
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methylbutyl]-6,7-dihydro-4H-furo[3,4-c]pyran-1-carboxamide has a molecular weight of 368.48 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methylbutyl]-6,7-dihydro-4H-furo[3,4-c]pyran-1-carboxamide is sourced from PubChem (CID 126801333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).