N-(3-methoxypropyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

C14H20N2O2 — CID 4903679

IUPACN-(3-methoxypropyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
SMILESCOCCCNC(=O)C1Cc2ccccc2CN1
InChIInChI=1S/C14H20N2O2/c1-18-8-4-7-15-14(17)13-9-11-5-2-3-6-12(11)10-16-13/h2-3,5-6,13,16H,4,7-10H2,1H3,(H,15,17)
InChIKeyZVWDLRFAAHZNAF-UHFFFAOYSA-N
MW248.33 g/mol
LogP0.85
Rot. Bonds5

About N-(3-methoxypropyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

N-(3-methoxypropyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide (PubChem CID 4903679) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is N-(3-methoxypropyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
PubChem CID4903679
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC NameN-(3-methoxypropyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
SMILESCOCCCNC(=O)C1Cc2ccccc2CN1
InChIInChI=1S/C14H20N2O2/c1-18-8-4-7-15-14(17)13-9-11-5-2-3-6-12(11)10-16-13/h2-3,5-6,13,16H,4,7-10H2,1H3,(H,15,17)
InChIKeyZVWDLRFAAHZNAF-UHFFFAOYSA-N
XLogP0.85
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3S)-N-(3-propoxypropyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 104896803
N-pentyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 24699121
(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
(3R)-N-(4-methylpentyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 61158740
(3R)-N-(3-hydroxy-4-methoxybutyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 106247547
N-(3-methoxypropyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 76892809
ethyl 4-[[(3S)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]amino]butanoate
CID 104896592
N-[3-[methyl(propan-2-yl)amino]propyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 106047759
(3S)-N-(3-methylsulfonylpropyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 93451421
5-[[(3S)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]amino]pentanoic acid
CID 103869585
(3S)-N-(5-amino-5-oxopentyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 106235752

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The IUPAC name of N-(3-methoxypropyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide (CID 4903679) is N-(3-methoxypropyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide.
What is the SMILES notation for N-(3-methoxypropyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The canonical SMILES for N-(3-methoxypropyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide is COCCCNC(=O)C1Cc2ccccc2CN1.
What is the InChIKey of N-(3-methoxypropyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The InChIKey is ZVWDLRFAAHZNAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-18-8-4-7-15-14(17)13-9-11-5-2-3-6-12(11)10-16-13/h2-3,5-6,13,16H,4,7-10H2,1H3,(H,15,17).
What are the key properties of N-(3-methoxypropyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
N-(3-methoxypropyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide has a molecular weight of 248.33 g/mol, XLogP of 0.85, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide is sourced from PubChem (CID 4903679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).