N,N-diethyl-1,2,3,4-tetrahydroisoquinoline-8-carboxamide

C14H20N2O — CID 110489161

IUPACN,N-diethyl-1,2,3,4-tetrahydroisoquinoline-8-carboxamide
SMILESCCN(CC)C(=O)c1cccc2c1CNCC2
InChIInChI=1S/C14H20N2O/c1-3-16(4-2)14(17)12-7-5-6-11-8-9-15-10-13(11)12/h5-7,15H,3-4,8-10H2,1-2H3
InChIKeyPOZZVJHRTUWXQB-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.81
Rot. Bonds3

About N,N-diethyl-1,2,3,4-tetrahydroisoquinoline-8-carboxamide

N,N-diethyl-1,2,3,4-tetrahydroisoquinoline-8-carboxamide (PubChem CID 110489161) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is N,N-diethyl-1,2,3,4-tetrahydroisoquinoline-8-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-1,2,3,4-tetrahydroisoquinoline-8-carboxamide
PubChem CID110489161
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC NameN,N-diethyl-1,2,3,4-tetrahydroisoquinoline-8-carboxamide
SMILESCCN(CC)C(=O)c1cccc2c1CNCC2
InChIInChI=1S/C14H20N2O/c1-3-16(4-2)14(17)12-7-5-6-11-8-9-15-10-13(11)12/h5-7,15H,3-4,8-10H2,1-2H3
InChIKeyPOZZVJHRTUWXQB-UHFFFAOYSA-N
XLogP1.81
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[ethyl(1,2,3,4-tetrahydroisoquinoline-5-carbonyl)amino]acetic acid
CID 104558460
2-[methyl(1,2,3,4-tetrahydroisoquinoline-8-carbonyl)amino]acetic acid
CID 110489133
N-(cyclopropylmethyl)-N-ethyl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104558608
N-(2-hydroxyethyl)-N-methyl-1,2,3,4-tetrahydroisoquinoline-8-carboxamide
CID 110489140
methyl 2-[methyl(1,2,3,4-tetrahydroisoquinoline-8-carbonyl)amino]acetate
CID 110489154
methyl 1,2,3,4-tetrahydroisoquinoline-8-carboxylate
CID 45074001
N,N-bis(prop-2-enyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104557956
N-(cyclopropylmethyl)-N-propyl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104558092
N-[2-(methylamino)-2-oxoethyl]-N-propyl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104558264
N-(2-methoxyethyl)-N-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104558171
N-methoxy-N-methyl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104558389
N-(2-ethoxyethyl)-N-methyl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104558808

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1,2,3,4-tetrahydroisoquinoline-8-carboxamide?
The IUPAC name of N,N-diethyl-1,2,3,4-tetrahydroisoquinoline-8-carboxamide (CID 110489161) is N,N-diethyl-1,2,3,4-tetrahydroisoquinoline-8-carboxamide.
What is the SMILES notation for N,N-diethyl-1,2,3,4-tetrahydroisoquinoline-8-carboxamide?
The canonical SMILES for N,N-diethyl-1,2,3,4-tetrahydroisoquinoline-8-carboxamide is CCN(CC)C(=O)c1cccc2c1CNCC2.
What is the InChIKey of N,N-diethyl-1,2,3,4-tetrahydroisoquinoline-8-carboxamide?
The InChIKey is POZZVJHRTUWXQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-3-16(4-2)14(17)12-7-5-6-11-8-9-15-10-13(11)12/h5-7,15H,3-4,8-10H2,1-2H3.
What are the key properties of N,N-diethyl-1,2,3,4-tetrahydroisoquinoline-8-carboxamide?
N,N-diethyl-1,2,3,4-tetrahydroisoquinoline-8-carboxamide has a molecular weight of 232.33 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1,2,3,4-tetrahydroisoquinoline-8-carboxamide is sourced from PubChem (CID 110489161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).