N-(2-methoxyethyl)-N-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide

C17H26N2O2 — CID 104558171

IUPACN-(2-methoxyethyl)-N-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
SMILESCOCCN(CC(C)C)C(=O)c1cccc2c1CCNC2
InChIInChI=1S/C17H26N2O2/c1-13(2)12-19(9-10-21-3)17(20)16-6-4-5-14-11-18-8-7-15(14)16/h4-6,13,18H,7-12H2,1-3H3
InChIKeyYVIMIVWVTTVPBR-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.08
Rot. Bonds6

About N-(2-methoxyethyl)-N-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide

N-(2-methoxyethyl)-N-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide (PubChem CID 104558171) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
PubChem CID104558171
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC NameN-(2-methoxyethyl)-N-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
SMILESCOCCN(CC(C)C)C(=O)c1cccc2c1CCNC2
InChIInChI=1S/C17H26N2O2/c1-13(2)12-19(9-10-21-3)17(20)16-6-4-5-14-11-18-8-7-15(14)16/h4-6,13,18H,7-12H2,1-3H3
InChIKeyYVIMIVWVTTVPBR-UHFFFAOYSA-N
XLogP2.08
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methoxyethyl)-N-(2-methylpropyl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103998510
N-(1-methoxypropan-2-yl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 113426618
N-[2-(3-methylbutoxy)ethyl]-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104558476
N-(1-methoxy-3-methylbutan-2-yl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104558682
N-methoxy-N-methyl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104558389
3-amino-N-(2-methoxyethyl)-2-methyl-N-(2-methylpropyl)benzamide
CID 61105794
N,N-bis(prop-2-enyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104557956
2-[ethyl(1,2,3,4-tetrahydroisoquinoline-5-carbonyl)amino]acetic acid
CID 104558460
N-(cyclopropylmethyl)-N-propyl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104558092
N-(2-ethoxyethyl)-N-methyl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104558808
3-[2,3-dihydro-1H-indene-4-carbonyl(2-methylpropyl)amino]propanoic acid
CID 120685931
N-(cyclopropylmethyl)-N-ethyl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104558608

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-N-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide (CID 104558171) is N-(2-methoxyethyl)-N-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-N-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-N-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide is COCCN(CC(C)C)C(=O)c1cccc2c1CCNC2.
What is the InChIKey of N-(2-methoxyethyl)-N-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide?
The InChIKey is YVIMIVWVTTVPBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-13(2)12-19(9-10-21-3)17(20)16-6-4-5-14-11-18-8-7-15(14)16/h4-6,13,18H,7-12H2,1-3H3.
What are the key properties of N-(2-methoxyethyl)-N-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide?
N-(2-methoxyethyl)-N-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide has a molecular weight of 290.41 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide is sourced from PubChem (CID 104558171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).