N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-methylpropanamide

C16H24N2O — CID 47163208

IUPACN-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCC(C)N1CCc2ccccc2C1
InChIInChI=1S/C16H24N2O/c1-12(2)16(19)17-10-13(3)18-9-8-14-6-4-5-7-15(14)11-18/h4-7,12-13H,8-11H2,1-3H3,(H,17,19)
InChIKeyMYBAZIWLZPOFQZ-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.21
Rot. Bonds4

About N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-methylpropanamide

N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-methylpropanamide (PubChem CID 47163208) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-methylpropanamide
PubChem CID47163208
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC NameN-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCC(C)N1CCc2ccccc2C1
InChIInChI=1S/C16H24N2O/c1-12(2)16(19)17-10-13(3)18-9-8-14-6-4-5-7-15(14)11-18/h4-7,12-13H,8-11H2,1-3H3,(H,17,19)
InChIKeyMYBAZIWLZPOFQZ-UHFFFAOYSA-N
XLogP2.21
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-hydroxy-2-phenylacetamide
CID 111464478
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]cyclopropanecarboxamide
CID 47163209
(2S)-N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 94021218
N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-(methoxymethyl)benzamide
CID 36886538
3-(2-bromophenyl)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]propanamide
CID 60506646
N-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3,3,3-trifluoropropanamide
CID 94054122
N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-4-fluorobenzamide
CID 32923012
3-amino-N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]pyrazine-2-carboxamide
CID 32929129
2-amino-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-(oxan-4-yl)acetamide
CID 120799294
N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-1-methylpyrrole-2-carboxamide
CID 51727801
1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3-(2-hydroxy-2,3-dimethylbutyl)urea
CID 111121019
N-[3-[[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]amino]-3-oxopropyl]-3-methylbutanamide
CID 96508429

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-methylpropanamide?
The IUPAC name of N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-methylpropanamide (CID 47163208) is N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-methylpropanamide.
What is the SMILES notation for N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-methylpropanamide?
The canonical SMILES for N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-methylpropanamide is CC(C)C(=O)NCC(C)N1CCc2ccccc2C1.
What is the InChIKey of N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-methylpropanamide?
The InChIKey is MYBAZIWLZPOFQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-12(2)16(19)17-10-13(3)18-9-8-14-6-4-5-7-15(14)11-18/h4-7,12-13H,8-11H2,1-3H3,(H,17,19).
What are the key properties of N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-methylpropanamide?
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-methylpropanamide has a molecular weight of 260.38 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-methylpropanamide is sourced from PubChem (CID 47163208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).