4-methyl-N-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide

C14H20N2O — CID 110750023

IUPAC4-methyl-N-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESCC(C)NC(=O)N1Cc2ccccc2C(C)C1
InChIInChI=1S/C14H20N2O/c1-10(2)15-14(17)16-8-11(3)13-7-5-4-6-12(13)9-16/h4-7,10-11H,8-9H2,1-3H3,(H,15,17)
InChIKeyHOZVDKXFFPUIJL-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.72
Rot. Bonds1

About 4-methyl-N-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide

4-methyl-N-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide (PubChem CID 110750023) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 4-methyl-N-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide.

Molecular Properties

Compound Name4-methyl-N-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide
PubChem CID110750023
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name4-methyl-N-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESCC(C)NC(=O)N1Cc2ccccc2C(C)C1
InChIInChI=1S/C14H20N2O/c1-10(2)15-14(17)16-8-11(3)13-7-5-4-6-12(13)9-16/h4-7,10-11H,8-9H2,1-3H3,(H,15,17)
InChIKeyHOZVDKXFFPUIJL-UHFFFAOYSA-N
XLogP2.72
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-methyl-2-propan-2-yl-3,4-dihydro-1H-isoquinoline
CID 110457310
(5-bromofuran-2-yl)-(4-methyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 110750145
2-(2-methylpropylcarbamoyl)-3,4-dihydro-1H-isoquinoline-4-carboxylic acid
CID 65262767
3-(1,3,4,5-tetrahydro-2-benzazepine-2-carbonylamino)butanoic acid
CID 63153924
2-(4-methoxyphenyl)-1-(4-methyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 110750590
N-[(2S)-1-[(2R)-2-methylpiperidin-1-yl]-1-oxopropan-2-yl]-1,3-dihydroisoindole-2-carboxamide
CID 95612434
2-(4-methyl-3,4-dihydro-1H-isoquinolin-2-yl)acetamide
CID 110457312
N-(5-methylhexan-2-yl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 78833930
2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-N-propan-2-ylacetamide
CID 58790057
3-methyl-N-(5-methylhexan-2-yl)-2,3-dihydroindole-1-carboxamide
CID 78889309
2-(propan-2-ylcarbamoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 43208679
(E)-N-[2-(4-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 176734344

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The IUPAC name of 4-methyl-N-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide (CID 110750023) is 4-methyl-N-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide.
What is the SMILES notation for 4-methyl-N-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The canonical SMILES for 4-methyl-N-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide is CC(C)NC(=O)N1Cc2ccccc2C(C)C1.
What is the InChIKey of 4-methyl-N-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The InChIKey is HOZVDKXFFPUIJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-10(2)15-14(17)16-8-11(3)13-7-5-4-6-12(13)9-16/h4-7,10-11H,8-9H2,1-3H3,(H,15,17).
What are the key properties of 4-methyl-N-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide?
4-methyl-N-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide has a molecular weight of 232.33 g/mol, XLogP of 2.72, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-propan-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxamide is sourced from PubChem (CID 110750023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).