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

C15H22N2O3 — CID 104896871

IUPAC(3S)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
SMILESCOCCN(CCO)C(=O)[C@@H]1Cc2ccccc2CN1
InChIInChI=1S/C15H22N2O3/c1-20-9-7-17(6-8-18)15(19)14-10-12-4-2-3-5-13(12)11-16-14/h2-5,14,16,18H,6-11H2,1H3/t14-/m0/s1
InChIKeyCSAMCLRUMLPSCL-AWEZNQCLSA-N
MW278.35 g/mol
LogP0.17
Rot. Bonds6

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

(3S)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide (PubChem CID 104896871) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is (3S)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
PubChem CID104896871
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name(3S)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
SMILESCOCCN(CCO)C(=O)[C@@H]1Cc2ccccc2CN1
InChIInChI=1S/C15H22N2O3/c1-20-9-7-17(6-8-18)15(19)14-10-12-4-2-3-5-13(12)11-16-14/h2-5,14,16,18H,6-11H2,1H3/t14-/m0/s1
InChIKeyCSAMCLRUMLPSCL-AWEZNQCLSA-N
XLogP0.17
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Related Compounds

(3S)-N-(2-methoxyethyl)-N-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 104896253
N-(2-ethoxyethyl)-N-ethyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 63691628
(3R)-N-(2-hydroxyethyl)-N-(thiophen-2-ylmethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 56861758
(3S)-N,N-bis(2-cyanoethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 104896287
(3R)-N,N-bis(2-amino-2-oxoethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 62921915
N-(cyclopropylmethyl)-N-propyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 43588804
(2S)-N,N-bis(2-hydroxyethyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 61163081
(3R)-N-(2-amino-2-oxoethyl)-N-butyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 61163753
(3S)-N-benzyl-N-[2-(dimethylamino)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 58715019
N-(3-methoxypropyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 4903679
2-[2-methylpropyl-[(3S)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]amino]acetic acid
CID 103869274
N-(2-methoxyethyl)-N-(2-methylpropyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 76894437

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The IUPAC name of (3S)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide (CID 104896871) is (3S)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide.
What is the SMILES notation for (3S)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The canonical SMILES for (3S)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide is COCCN(CCO)C(=O)[C@@H]1Cc2ccccc2CN1.
What is the InChIKey of (3S)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The InChIKey is CSAMCLRUMLPSCL-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-20-9-7-17(6-8-18)15(19)14-10-12-4-2-3-5-13(12)11-16-14/h2-5,14,16,18H,6-11H2,1H3/t14-/m0/s1.
What are the key properties of (3S)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
(3S)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide has a molecular weight of 278.35 g/mol, XLogP of 0.17, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide is sourced from PubChem (CID 104896871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).