3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropanamide

C13H18N2O — CID 82079357

IUPAC3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropanamide
SMILESCC(CN1CCc2ccccc2C1)C(N)=O
InChIInChI=1S/C13H18N2O/c1-10(13(14)16)8-15-7-6-11-4-2-3-5-12(11)9-15/h2-5,10H,6-9H2,1H3,(H2,14,16)
InChIKeyBDJWPPWESNTWMY-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.17
Rot. Bonds3

About 3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropanamide

3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropanamide (PubChem CID 82079357) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropanamide.

Molecular Properties

Compound Name3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropanamide
PubChem CID82079357
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropanamide
SMILESCC(CN1CCc2ccccc2C1)C(N)=O
InChIInChI=1S/C13H18N2O/c1-10(13(14)16)8-15-7-6-11-4-2-3-5-12(11)9-15/h2-5,10H,6-9H2,1H3,(H2,14,16)
InChIKeyBDJWPPWESNTWMY-UHFFFAOYSA-N
XLogP1.17
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropanoic acid
CID 93107764
(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol
CID 39238520
4-(3,4-dihydro-1H-isoquinolin-2-yl)-2,3-dimethylbutan-1-amine
CID 142598065
methyl 2-(propan-2-ylamino)-3-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)propanoate
CID 63153254
3-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide
CID 583481
(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropanenitrile
CID 39161361
2-(propan-2-ylamino)-4-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)butanamide
CID 63152635
3-[[[(2R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-yl]amino]methyl]-1,2,4-oxadiazole-5-carboxamide
CID 125442811
3-amino-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2-methylbutanamide
CID 120502990
2-(3-amino-2-methyl-3-oxopropyl)-3,4-dihydro-1H-isoquinoline-4-carboxylic acid
CID 65260571
(2R)-4-(3,4-dihydro-1H-isoquinolin-2-yl)butan-2-amine
CID 93302066
ethane;2-methylbutanamide;1,2,3,4-tetrahydronaphthalene
CID 144636496

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropanamide?
The IUPAC name of 3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropanamide (CID 82079357) is 3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropanamide.
What is the SMILES notation for 3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropanamide?
The canonical SMILES for 3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropanamide is CC(CN1CCc2ccccc2C1)C(N)=O.
What is the InChIKey of 3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropanamide?
The InChIKey is BDJWPPWESNTWMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-10(13(14)16)8-15-7-6-11-4-2-3-5-12(11)9-15/h2-5,10H,6-9H2,1H3,(H2,14,16).
What are the key properties of 3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropanamide?
3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropanamide has a molecular weight of 218.30 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropanamide is sourced from PubChem (CID 82079357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).