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

C17H26N2O2 — CID 104896253

IUPAC(3S)-N-(2-methoxyethyl)-N-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
SMILESCOCCN(CC(C)C)C(=O)[C@@H]1Cc2ccccc2CN1
InChIInChI=1S/C17H26N2O2/c1-13(2)12-19(8-9-21-3)17(20)16-10-14-6-4-5-7-15(14)11-18-16/h4-7,13,16,18H,8-12H2,1-3H3/t16-/m0/s1
InChIKeyPLVGGBXOZNNGGU-INIZCTEOSA-N
MW290.41 g/mol
LogP1.83
Rot. Bonds6

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

(3S)-N-(2-methoxyethyl)-N-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide (PubChem CID 104896253) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is (3S)-N-(2-methoxyethyl)-N-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(2-methoxyethyl)-N-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
PubChem CID104896253
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name(3S)-N-(2-methoxyethyl)-N-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
SMILESCOCCN(CC(C)C)C(=O)[C@@H]1Cc2ccccc2CN1
InChIInChI=1S/C17H26N2O2/c1-13(2)12-19(8-9-21-3)17(20)16-10-14-6-4-5-7-15(14)11-18-16/h4-7,13,16,18H,8-12H2,1-3H3/t16-/m0/s1
InChIKeyPLVGGBXOZNNGGU-INIZCTEOSA-N
XLogP1.83
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 ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3S)-N-(2-methoxyethyl)-N-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide with MolForge

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Related Compounds

(3S)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 104896871
N-(2-methoxyethyl)-N-(2-methylpropyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 76894437
2-[2-methylpropyl-[(3S)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]amino]acetic acid
CID 103869274
(3S)-N-(2-methylpropyl)-N-propan-2-yl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 104896257
N-(2-ethoxyethyl)-N-ethyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 63691628
N-(2-methoxyethyl)-N-(2-methylpropyl)-1,2,3,4-tetrahydroquinoxaline-2-carboxamide
CID 107356101
N-ethyl-N-propan-2-yl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 43265856
methyl 2-methyl-3-[methyl(1,2,3,4-tetrahydroisoquinoline-3-carbonyl)amino]propanoate
CID 60963908
(3R)-N,N-bis(2-amino-2-oxoethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 62921915
(3S)-N-propan-2-yl-N-propyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 104896103
(3S)-N,N-bis(2-cyanoethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 104896287
N-(cyclopropylmethyl)-N-propyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 43588804

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(2-methoxyethyl)-N-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The IUPAC name of (3S)-N-(2-methoxyethyl)-N-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide (CID 104896253) is (3S)-N-(2-methoxyethyl)-N-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide.
What is the SMILES notation for (3S)-N-(2-methoxyethyl)-N-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The canonical SMILES for (3S)-N-(2-methoxyethyl)-N-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide is COCCN(CC(C)C)C(=O)[C@@H]1Cc2ccccc2CN1.
What is the InChIKey of (3S)-N-(2-methoxyethyl)-N-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The InChIKey is PLVGGBXOZNNGGU-INIZCTEOSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-13(2)12-19(8-9-21-3)17(20)16-10-14-6-4-5-7-15(14)11-18-16/h4-7,13,16,18H,8-12H2,1-3H3/t16-/m0/s1.
What are the key properties of (3S)-N-(2-methoxyethyl)-N-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
(3S)-N-(2-methoxyethyl)-N-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide has a molecular weight of 290.41 g/mol, XLogP of 1.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(2-methoxyethyl)-N-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide is sourced from PubChem (CID 104896253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).