N-[[4-[[6-(cyclopropylmethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]methyl]phenyl]methyl]cyclopropanecarboxamide

C25H30N2O2 — CID 145043044

IUPACN-[[4-[[6-(cyclopropylmethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]methyl]phenyl]methyl]cyclopropanecarboxamide
SMILESO=C(NCc1ccc(CN2CCc3cc(OCC4CC4)ccc3C2)cc1)C1CC1
InChIInChI=1S/C25H30N2O2/c28-25(21-7-8-21)26-14-18-1-3-19(4-2-18)15-27-12-11-22-13-24(10-9-23(22)16-27)29-17-20-5-6-20/h1-4,9-10,13,20-21H,5-8,11-12,14-17H2,(H,26,28)
InChIKeyGAPHYAIDTZXAMV-UHFFFAOYSA-N
MW390.53 g/mol
LogP4.06
Rot. Bonds8

About N-[[4-[[6-(cyclopropylmethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]methyl]phenyl]methyl]cyclopropanecarboxamide

N-[[4-[[6-(cyclopropylmethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]methyl]phenyl]methyl]cyclopropanecarboxamide (PubChem CID 145043044) has the molecular formula C25H30N2O2 and a molecular weight of 390.53 g/mol. Its IUPAC name is N-[[4-[[6-(cyclopropylmethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]methyl]phenyl]methyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[[4-[[6-(cyclopropylmethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]methyl]phenyl]methyl]cyclopropanecarboxamide
PubChem CID145043044
Molecular FormulaC25H30N2O2
Molecular Weight390.53 g/mol
Exact Mass390.23
IUPAC NameN-[[4-[[6-(cyclopropylmethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]methyl]phenyl]methyl]cyclopropanecarboxamide
SMILESO=C(NCc1ccc(CN2CCc3cc(OCC4CC4)ccc3C2)cc1)C1CC1
InChIInChI=1S/C25H30N2O2/c28-25(21-7-8-21)26-14-18-1-3-19(4-2-18)15-27-12-11-22-13-24(10-9-23(22)16-27)29-17-20-5-6-20/h1-4,9-10,13,20-21H,5-8,11-12,14-17H2,(H,26,28)
InChIKeyGAPHYAIDTZXAMV-UHFFFAOYSA-N
XLogP4.06
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[4-[[6-(cyclopropylmethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]methyl]phenyl]methyl]cyclopropanecarboxamide with MolForge

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Related Compounds

N-[[4-[[6-(cyclopropylmethoxy)-5-fluoro-3,4-dihydro-1H-isoquinolin-2-yl]methyl]phenyl]methyl]cyclopropanecarboxamide
CID 166718979
1-[4-[[6-(cyclobutylmethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]methyl]phenyl]-N-methylmethanamine
CID 166719003
N-[[4-[[6-(cyclopropylmethoxy)-4-methyl-3,4-dihydro-1H-isoquinolin-2-yl]methyl]phenyl]methyl]cyclobutanecarboxamide
CID 145042958
N-[[4-[[6-[(2,2-difluorocyclopropyl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]methyl]phenyl]methyl]-1-[1-(trifluoromethyl)cyclopropyl]ethenamine
CID 145043083
1-[(4-bromophenyl)methyl]-N-[[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenyl]methyl]piperidine-4-carboxamide
CID 43917777
N-[[3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenyl]methyl]-1-[(3-ethoxyphenyl)methyl]piperidine-4-carboxamide
CID 43917863
N-[[4-[(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]methyl]cyclopropanecarboxamide
CID 145042994
N-[[4-[[6-(cyclopropylmethoxy)-4-fluoro-3,4-dihydro-1H-isoquinolin-2-yl]methyl]phenyl]methyl]-2-hydroxypropanamide
CID 145043136
N-[[4-[[6-[(2,2-difluorocyclopropyl)methoxy]-5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl]methyl]phenyl]methyl]cyclopropanecarboxamide
CID 166719048
2-cyano-N-[[4-[[6-(cyclopropylmethoxy)-4-fluoro-3,4-dihydro-1H-isoquinolin-2-yl]methyl]phenyl]methyl]acetamide
CID 145043100
N-benzyl-2-[4-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)oxymethyl]piperidin-1-yl]acetamide
CID 20585899
N-[[4-[(6-chloro-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]methyl]acetamide
CID 166719135

Frequently Asked Questions

What is the IUPAC name of N-[[4-[[6-(cyclopropylmethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]methyl]phenyl]methyl]cyclopropanecarboxamide?
The IUPAC name of N-[[4-[[6-(cyclopropylmethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]methyl]phenyl]methyl]cyclopropanecarboxamide (CID 145043044) is N-[[4-[[6-(cyclopropylmethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]methyl]phenyl]methyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[[4-[[6-(cyclopropylmethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]methyl]phenyl]methyl]cyclopropanecarboxamide?
The canonical SMILES for N-[[4-[[6-(cyclopropylmethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]methyl]phenyl]methyl]cyclopropanecarboxamide is O=C(NCc1ccc(CN2CCc3cc(OCC4CC4)ccc3C2)cc1)C1CC1.
What is the InChIKey of N-[[4-[[6-(cyclopropylmethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]methyl]phenyl]methyl]cyclopropanecarboxamide?
The InChIKey is GAPHYAIDTZXAMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O2/c28-25(21-7-8-21)26-14-18-1-3-19(4-2-18)15-27-12-11-22-13-24(10-9-23(22)16-27)29-17-20-5-6-20/h1-4,9-10,13,20-21H,5-8,11-12,14-17H2,(H,26,28).
What are the key properties of N-[[4-[[6-(cyclopropylmethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]methyl]phenyl]methyl]cyclopropanecarboxamide?
N-[[4-[[6-(cyclopropylmethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]methyl]phenyl]methyl]cyclopropanecarboxamide has a molecular weight of 390.53 g/mol, XLogP of 4.06, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[[6-(cyclopropylmethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]methyl]phenyl]methyl]cyclopropanecarboxamide is sourced from PubChem (CID 145043044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).