N-[2-(2-hydroxyethoxy)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

C14H20N2O3 — CID 61275820

IUPACN-[2-(2-hydroxyethoxy)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
SMILESO=C(NCCOCCO)C1Cc2ccccc2CN1
InChIInChI=1S/C14H20N2O3/c17-6-8-19-7-5-15-14(18)13-9-11-3-1-2-4-12(11)10-16-13/h1-4,13,16-17H,5-10H2,(H,15,18)
InChIKeyHMAQJOAYGPOXRW-UHFFFAOYSA-N
MW264.32 g/mol
LogP-0.17
Rot. Bonds6

About N-[2-(2-hydroxyethoxy)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

N-[2-(2-hydroxyethoxy)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide (PubChem CID 61275820) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is N-[2-(2-hydroxyethoxy)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-hydroxyethoxy)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
PubChem CID61275820
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC NameN-[2-(2-hydroxyethoxy)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
SMILESO=C(NCCOCCO)C1Cc2ccccc2CN1
InChIInChI=1S/C14H20N2O3/c17-6-8-19-7-5-15-14(18)13-9-11-3-1-2-4-12(11)10-16-13/h1-4,13,16-17H,5-10H2,(H,15,18)
InChIKeyHMAQJOAYGPOXRW-UHFFFAOYSA-N
XLogP-0.17
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 5-0.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(cyclopropylmethoxy)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride
CID 119307301
(3S)-N-(3-propoxypropyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 104896803
N-(3-methoxypropyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 4903679
(3S)-N-[3-(cyclopropylmethoxy)propyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 104896132
(3S)-N-[2-(2-methoxyethylamino)-2-oxoethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 104896839
(3S)-N-[2-(3-hydroxypropylsulfanyl)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 106311001
N-(3-amino-3-oxopropyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 43553630
N-[3-[methyl(propan-2-yl)amino]propyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 106047759
N-(2-cyclopropylethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride
CID 119039078
N-pentyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 24699121
N-(3,3,3-trifluoropropyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 55174369
(3S)-N-(3,3,3-trifluoropropyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 95034741

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-hydroxyethoxy)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The IUPAC name of N-[2-(2-hydroxyethoxy)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide (CID 61275820) is N-[2-(2-hydroxyethoxy)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide.
What is the SMILES notation for N-[2-(2-hydroxyethoxy)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The canonical SMILES for N-[2-(2-hydroxyethoxy)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide is O=C(NCCOCCO)C1Cc2ccccc2CN1.
What is the InChIKey of N-[2-(2-hydroxyethoxy)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The InChIKey is HMAQJOAYGPOXRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c17-6-8-19-7-5-15-14(18)13-9-11-3-1-2-4-12(11)10-16-13/h1-4,13,16-17H,5-10H2,(H,15,18).
What are the key properties of N-[2-(2-hydroxyethoxy)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
N-[2-(2-hydroxyethoxy)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide has a molecular weight of 264.32 g/mol, XLogP of -0.17, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-hydroxyethoxy)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide is sourced from PubChem (CID 61275820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).