N-(1-methoxy-3-methylbutan-2-yl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide

C16H24N2O2 — CID 104558682

IUPACN-(1-methoxy-3-methylbutan-2-yl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
SMILESCOCC(NC(=O)c1cccc2c1CCNC2)C(C)C
InChIInChI=1S/C16H24N2O2/c1-11(2)15(10-20-3)18-16(19)14-6-4-5-12-9-17-8-7-13(12)14/h4-6,11,15,17H,7-10H2,1-3H3,(H,18,19)
InChIKeyGAIPAGCBRUHSCS-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.73
Rot. Bonds5

About N-(1-methoxy-3-methylbutan-2-yl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide

N-(1-methoxy-3-methylbutan-2-yl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide (PubChem CID 104558682) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-(1-methoxy-3-methylbutan-2-yl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide.

Molecular Properties

Compound NameN-(1-methoxy-3-methylbutan-2-yl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
PubChem CID104558682
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-(1-methoxy-3-methylbutan-2-yl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
SMILESCOCC(NC(=O)c1cccc2c1CCNC2)C(C)C
InChIInChI=1S/C16H24N2O2/c1-11(2)15(10-20-3)18-16(19)14-6-4-5-12-9-17-8-7-13(12)14/h4-6,11,15,17H,7-10H2,1-3H3,(H,18,19)
InChIKeyGAIPAGCBRUHSCS-UHFFFAOYSA-N
XLogP1.73
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-methoxypropan-2-yl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 113426618
N-(2-methylpentan-3-yl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104558421
N-pent-4-yn-2-yl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 113477489
N-(1-methoxy-3-methylbutan-2-yl)-1,2,3,4-tetrahydroquinoxaline-5-carboxamide
CID 104615108
N-(2-methoxyethyl)-N-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104558171
N-[1-(furan-2-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104558050
N-[2-(3-methylbutoxy)ethyl]-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104558476
N-tert-butyl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 113426614
N-(2-acetamidoethyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104558061
2-cyclopropyl-2-(1,2,3,4-tetrahydroisoquinoline-5-carbonylamino)acetic acid
CID 104558521
N-(1-amino-2-methyl-1-oxopropan-2-yl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104558339
N-(2-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104557860

Frequently Asked Questions

What is the IUPAC name of N-(1-methoxy-3-methylbutan-2-yl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide?
The IUPAC name of N-(1-methoxy-3-methylbutan-2-yl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide (CID 104558682) is N-(1-methoxy-3-methylbutan-2-yl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide.
What is the SMILES notation for N-(1-methoxy-3-methylbutan-2-yl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide?
The canonical SMILES for N-(1-methoxy-3-methylbutan-2-yl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide is COCC(NC(=O)c1cccc2c1CCNC2)C(C)C.
What is the InChIKey of N-(1-methoxy-3-methylbutan-2-yl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide?
The InChIKey is GAIPAGCBRUHSCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-11(2)15(10-20-3)18-16(19)14-6-4-5-12-9-17-8-7-13(12)14/h4-6,11,15,17H,7-10H2,1-3H3,(H,18,19).
What are the key properties of N-(1-methoxy-3-methylbutan-2-yl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide?
N-(1-methoxy-3-methylbutan-2-yl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide has a molecular weight of 276.38 g/mol, XLogP of 1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxy-3-methylbutan-2-yl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide is sourced from PubChem (CID 104558682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).