N-cyclopentyl-3-(1,2,3,4-tetrahydroisoquinolin-6-yl)propanamide

C17H24N2O — CID 115105014

IUPACN-cyclopentyl-3-(1,2,3,4-tetrahydroisoquinolin-6-yl)propanamide
SMILESO=C(CCc1ccc2c(c1)CCNC2)NC1CCCC1
InChIInChI=1S/C17H24N2O/c20-17(19-16-3-1-2-4-16)8-6-13-5-7-15-12-18-10-9-14(15)11-13/h5,7,11,16,18H,1-4,6,8-10,12H2,(H,19,20)
InChIKeyLNYYJUHVVPLSPN-UHFFFAOYSA-N
MW272.39 g/mol
LogP2.32
Rot. Bonds4

About N-cyclopentyl-3-(1,2,3,4-tetrahydroisoquinolin-6-yl)propanamide

N-cyclopentyl-3-(1,2,3,4-tetrahydroisoquinolin-6-yl)propanamide (PubChem CID 115105014) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is N-cyclopentyl-3-(1,2,3,4-tetrahydroisoquinolin-6-yl)propanamide.

Molecular Properties

Compound NameN-cyclopentyl-3-(1,2,3,4-tetrahydroisoquinolin-6-yl)propanamide
PubChem CID115105014
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC NameN-cyclopentyl-3-(1,2,3,4-tetrahydroisoquinolin-6-yl)propanamide
SMILESO=C(CCc1ccc2c(c1)CCNC2)NC1CCCC1
InChIInChI=1S/C17H24N2O/c20-17(19-16-3-1-2-4-16)8-6-13-5-7-15-12-18-10-9-14(15)11-13/h5,7,11,16,18H,1-4,6,8-10,12H2,(H,19,20)
InChIKeyLNYYJUHVVPLSPN-UHFFFAOYSA-N
XLogP2.32
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopropyl-2-(1,2,3,4-tetrahydroisoquinolin-6-yl)acetamide
CID 115104820
N-tert-butyl-3-(1,2,3,4-tetrahydroisoquinolin-6-yl)propanamide
CID 115105026
N-cyclopentyl-3-[[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]propanamide
CID 60569006
N-cyclohexyl-4-oxo-4-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)butanamide
CID 21108450
N-cyclopropyl-2-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 8623360
4-oxo-N-piperidin-4-yl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide;hydrochloride
CID 119390143
N-cyclooctyl-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propanamide
CID 86944075
N-cycloheptyl-3-(3,4-diethoxyphenyl)propanamide
CID 99949717
N-cyclopentyl-3-(4-propan-2-ylphenyl)propanamide
CID 19221387
N-cyclopropyl-3-(2,3-dihydro-1H-inden-5-ylmethylamino)propanamide
CID 79036237
3-[4-(1-aminocyclopropyl)phenyl]-N-cycloheptylpropanamide
CID 115055960
3-(3-amino-4-methoxyphenyl)-N-cyclopentylpropanamide
CID 39362398

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3-(1,2,3,4-tetrahydroisoquinolin-6-yl)propanamide?
The IUPAC name of N-cyclopentyl-3-(1,2,3,4-tetrahydroisoquinolin-6-yl)propanamide (CID 115105014) is N-cyclopentyl-3-(1,2,3,4-tetrahydroisoquinolin-6-yl)propanamide.
What is the SMILES notation for N-cyclopentyl-3-(1,2,3,4-tetrahydroisoquinolin-6-yl)propanamide?
The canonical SMILES for N-cyclopentyl-3-(1,2,3,4-tetrahydroisoquinolin-6-yl)propanamide is O=C(CCc1ccc2c(c1)CCNC2)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-3-(1,2,3,4-tetrahydroisoquinolin-6-yl)propanamide?
The InChIKey is LNYYJUHVVPLSPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c20-17(19-16-3-1-2-4-16)8-6-13-5-7-15-12-18-10-9-14(15)11-13/h5,7,11,16,18H,1-4,6,8-10,12H2,(H,19,20).
What are the key properties of N-cyclopentyl-3-(1,2,3,4-tetrahydroisoquinolin-6-yl)propanamide?
N-cyclopentyl-3-(1,2,3,4-tetrahydroisoquinolin-6-yl)propanamide has a molecular weight of 272.39 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3-(1,2,3,4-tetrahydroisoquinolin-6-yl)propanamide is sourced from PubChem (CID 115105014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).