N-(1-cyclopropylethyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methylbutanamide

C19H28N2O — CID 47074865

IUPACN-(1-cyclopropylethyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methylbutanamide
SMILESCC(C)C(C(=O)NC(C)C1CC1)N1CCc2ccccc2C1
InChIInChI=1S/C19H28N2O/c1-13(2)18(19(22)20-14(3)15-8-9-15)21-11-10-16-6-4-5-7-17(16)12-21/h4-7,13-15,18H,8-12H2,1-3H3,(H,20,22)
InChIKeySDPVAZFLPDCUBI-UHFFFAOYSA-N
MW300.45 g/mol
LogP2.98
Rot. Bonds5

About N-(1-cyclopropylethyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methylbutanamide

N-(1-cyclopropylethyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methylbutanamide (PubChem CID 47074865) has the molecular formula C19H28N2O and a molecular weight of 300.45 g/mol. Its IUPAC name is N-(1-cyclopropylethyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methylbutanamide.

Molecular Properties

Compound NameN-(1-cyclopropylethyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methylbutanamide
PubChem CID47074865
Molecular FormulaC19H28N2O
Molecular Weight300.45 g/mol
Exact Mass300.22
IUPAC NameN-(1-cyclopropylethyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methylbutanamide
SMILESCC(C)C(C(=O)NC(C)C1CC1)N1CCc2ccccc2C1
InChIInChI=1S/C19H28N2O/c1-13(2)18(19(22)20-14(3)15-8-9-15)21-11-10-16-6-4-5-7-17(16)12-21/h4-7,13-15,18H,8-12H2,1-3H3,(H,20,22)
InChIKeySDPVAZFLPDCUBI-UHFFFAOYSA-N
XLogP2.98
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(1-cyclopropylethyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methylbutanamide with MolForge

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Related Compounds

1-(4-acetylpiperazin-1-yl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methylbutan-1-one
CID 56819927
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(thian-4-yl)propanamide
CID 56786129
methyl (E)-4-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methylbutanoyl]amino]but-2-enoate
CID 146076884
(3S)-1-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methylbutanoyl]pyrrolidine-3-carboxamide
CID 95589740
1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methylbutanoyl]pyrrolidine-3-carboxamide
CID 56821119
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-methylpropanamide
CID 47163208
methyl (2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanoate
CID 51886799
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]cyclopropanecarboxamide
CID 47163209
2-amino-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-(oxan-4-yl)acetamide
CID 120799294
3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methylbutanoic acid
CID 79406087
methyl (2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)butanoate
CID 40804528
1-cyclopropyl-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]ethanamine
CID 55085155

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylethyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methylbutanamide?
The IUPAC name of N-(1-cyclopropylethyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methylbutanamide (CID 47074865) is N-(1-cyclopropylethyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methylbutanamide.
What is the SMILES notation for N-(1-cyclopropylethyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methylbutanamide?
The canonical SMILES for N-(1-cyclopropylethyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methylbutanamide is CC(C)C(C(=O)NC(C)C1CC1)N1CCc2ccccc2C1.
What is the InChIKey of N-(1-cyclopropylethyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methylbutanamide?
The InChIKey is SDPVAZFLPDCUBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O/c1-13(2)18(19(22)20-14(3)15-8-9-15)21-11-10-16-6-4-5-7-17(16)12-21/h4-7,13-15,18H,8-12H2,1-3H3,(H,20,22).
What are the key properties of N-(1-cyclopropylethyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methylbutanamide?
N-(1-cyclopropylethyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methylbutanamide has a molecular weight of 300.45 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylethyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methylbutanamide is sourced from PubChem (CID 47074865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).