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

C14H19N3O2 — CID 65260988

IUPACN-(2-acetamidoethyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
SMILESCC(=O)NCCNC(=O)C1CNCc2ccccc21
InChIInChI=1S/C14H19N3O2/c1-10(18)16-6-7-17-14(19)13-9-15-8-11-4-2-3-5-12(11)13/h2-5,13,15H,6-9H2,1H3,(H,16,18)(H,17,19)
InChIKeyRYNROUNZJFQCEA-UHFFFAOYSA-N
MW261.32 g/mol
LogP0.13
Rot. Bonds4

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

N-(2-acetamidoethyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide (PubChem CID 65260988) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is N-(2-acetamidoethyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(2-acetamidoethyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
PubChem CID65260988
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC NameN-(2-acetamidoethyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
SMILESCC(=O)NCCNC(=O)C1CNCc2ccccc21
InChIInChI=1S/C14H19N3O2/c1-10(18)16-6-7-17-14(19)13-9-15-8-11-4-2-3-5-12(11)13/h2-5,13,15H,6-9H2,1H3,(H,16,18)(H,17,19)
InChIKeyRYNROUNZJFQCEA-UHFFFAOYSA-N
XLogP0.13
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 50.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-methoxyethoxy)ethyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65262588
N-prop-2-ynyl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65260647
N-(5-amino-5-oxopentyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 106236142
2-(1,2,3,4-tetrahydroisoquinoline-4-carbonylamino)ethyl carbamate
CID 83210191
N-(2-thiophen-2-ylethyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65260690
(2S)-2-hydroxy-4-(1,2,3,4-tetrahydroisoquinoline-4-carbonylamino)butanoic acid
CID 107836320
N-[3-(cyclopropylamino)-3-oxopropyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 79377587
N-(3-cyclopentylpropyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 106011603
N-(2,2-dimethylbutyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 103461461
N-(cyclobutylmethyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65260937
N-(2-methoxy-2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 104761331
N-(3-amino-2-hydroxy-3-oxopropyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 106175930

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamidoethyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide?
The IUPAC name of N-(2-acetamidoethyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide (CID 65260988) is N-(2-acetamidoethyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide.
What is the SMILES notation for N-(2-acetamidoethyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide?
The canonical SMILES for N-(2-acetamidoethyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide is CC(=O)NCCNC(=O)C1CNCc2ccccc21.
What is the InChIKey of N-(2-acetamidoethyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide?
The InChIKey is RYNROUNZJFQCEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-10(18)16-6-7-17-14(19)13-9-15-8-11-4-2-3-5-12(11)13/h2-5,13,15H,6-9H2,1H3,(H,16,18)(H,17,19).
What are the key properties of N-(2-acetamidoethyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide?
N-(2-acetamidoethyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide has a molecular weight of 261.32 g/mol, XLogP of 0.13, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamidoethyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide is sourced from PubChem (CID 65260988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).