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

C17H24N2O — CID 115105076

IUPACN-cyclopentyl-3-(1,2,3,4-tetrahydroisoquinolin-1-yl)propanamide
SMILESO=C(CCC1NCCc2ccccc21)NC1CCCC1
InChIInChI=1S/C17H24N2O/c20-17(19-14-6-2-3-7-14)10-9-16-15-8-4-1-5-13(15)11-12-18-16/h1,4-5,8,14,16,18H,2-3,6-7,9-12H2,(H,19,20)
InChIKeyVQDOTPHAMXVGHU-UHFFFAOYSA-N
MW272.39 g/mol
LogP2.71
Rot. Bonds4

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

N-cyclopentyl-3-(1,2,3,4-tetrahydroisoquinolin-1-yl)propanamide (PubChem CID 115105076) 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-1-yl)propanamide.

Molecular Properties

Compound NameN-cyclopentyl-3-(1,2,3,4-tetrahydroisoquinolin-1-yl)propanamide
PubChem CID115105076
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC NameN-cyclopentyl-3-(1,2,3,4-tetrahydroisoquinolin-1-yl)propanamide
SMILESO=C(CCC1NCCc2ccccc21)NC1CCCC1
InChIInChI=1S/C17H24N2O/c20-17(19-14-6-2-3-7-14)10-9-16-15-8-4-1-5-13(15)11-12-18-16/h1,4-5,8,14,16,18H,2-3,6-7,9-12H2,(H,19,20)
InChIKeyVQDOTPHAMXVGHU-UHFFFAOYSA-N
XLogP2.71
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 ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(cyclopropylamino)-3-oxopropyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide
CID 79377573
N-cyclopentyl-3-(2,3-dihydro-1H-indol-3-yl)propanamide
CID 115105541
1-[10-(1,2,3,4-tetrahydroisoquinolin-1-yl)decyl]-1,2,3,4-tetrahydroisoquinoline
CID 20976200
2-(1,2,3,4-tetrahydroisoquinolin-1-yl)acetic acid
CID 2733683
N-cyclopropyl-3-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)propanamide
CID 79386308
1,2,3,4-tetrahydroisoquinolin-1-ylmethanol
CID 51358587
N-methyl-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)ethanamine
CID 115104867
3-cyclohexyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 43835607
1-(2-phenylethyl)-1,2,3,4-tetrahydroisoquinoline
CID 12743117
N-cyclopentyl-3-[[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylcarbamoyl]amino]propanamide
CID 94577269
N-cyclopropyl-3-(2,3-dihydro-1H-inden-1-ylamino)propanamide
CID 62626829
1-(cyclopropylmethyl)-1,2,3,4-tetrahydroisoquinoline
CID 64905082

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3-(1,2,3,4-tetrahydroisoquinolin-1-yl)propanamide?
The IUPAC name of N-cyclopentyl-3-(1,2,3,4-tetrahydroisoquinolin-1-yl)propanamide (CID 115105076) is N-cyclopentyl-3-(1,2,3,4-tetrahydroisoquinolin-1-yl)propanamide.
What is the SMILES notation for N-cyclopentyl-3-(1,2,3,4-tetrahydroisoquinolin-1-yl)propanamide?
The canonical SMILES for N-cyclopentyl-3-(1,2,3,4-tetrahydroisoquinolin-1-yl)propanamide is O=C(CCC1NCCc2ccccc21)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-3-(1,2,3,4-tetrahydroisoquinolin-1-yl)propanamide?
The InChIKey is VQDOTPHAMXVGHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c20-17(19-14-6-2-3-7-14)10-9-16-15-8-4-1-5-13(15)11-12-18-16/h1,4-5,8,14,16,18H,2-3,6-7,9-12H2,(H,19,20).
What are the key properties of N-cyclopentyl-3-(1,2,3,4-tetrahydroisoquinolin-1-yl)propanamide?
N-cyclopentyl-3-(1,2,3,4-tetrahydroisoquinolin-1-yl)propanamide has a molecular weight of 272.39 g/mol, XLogP of 2.71, 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-1-yl)propanamide is sourced from PubChem (CID 115105076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).