N-ethyl-N-propan-2-yl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

C15H22N2O — CID 43265856

IUPACN-ethyl-N-propan-2-yl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
SMILESCCN(C(=O)C1Cc2ccccc2CN1)C(C)C
InChIInChI=1S/C15H22N2O/c1-4-17(11(2)3)15(18)14-9-12-7-5-6-8-13(12)10-16-14/h5-8,11,14,16H,4,9-10H2,1-3H3
InChIKeyUICBXDMLJARJNN-UHFFFAOYSA-N
MW246.35 g/mol
LogP1.96
Rot. Bonds3

About N-ethyl-N-propan-2-yl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

N-ethyl-N-propan-2-yl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide (PubChem CID 43265856) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is N-ethyl-N-propan-2-yl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-propan-2-yl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
PubChem CID43265856
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC NameN-ethyl-N-propan-2-yl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
SMILESCCN(C(=O)C1Cc2ccccc2CN1)C(C)C
InChIInChI=1S/C15H22N2O/c1-4-17(11(2)3)15(18)14-9-12-7-5-6-8-13(12)10-16-14/h5-8,11,14,16H,4,9-10H2,1-3H3
InChIKeyUICBXDMLJARJNN-UHFFFAOYSA-N
XLogP1.96
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-N-propan-2-yl-N-propyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 104896103
(3S)-N-(2-methylpropyl)-N-propan-2-yl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 104896257
2-[propan-2-yl-[(3R)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]amino]acetic acid
CID 61160671
N-cyclohexyl-N-ethyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 24692970
2-[2-methylpropyl-[(3S)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]amino]acetic acid
CID 103869274
(3S)-N-methyl-N-(2-methylbutan-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 104896545
(3S)-N-methyl-N-pentyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 104896108
(3R)-N-(1-cyanopropan-2-yl)-N-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 63224845
N-(2-ethoxyethyl)-N-ethyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 63691628
N-benzyl-N-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 24711803
azane;1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
CID 175030383
(3S)-N-(2-methoxyethyl)-N-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 104896253

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-propan-2-yl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The IUPAC name of N-ethyl-N-propan-2-yl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide (CID 43265856) is N-ethyl-N-propan-2-yl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide.
What is the SMILES notation for N-ethyl-N-propan-2-yl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The canonical SMILES for N-ethyl-N-propan-2-yl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide is CCN(C(=O)C1Cc2ccccc2CN1)C(C)C.
What is the InChIKey of N-ethyl-N-propan-2-yl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The InChIKey is UICBXDMLJARJNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-4-17(11(2)3)15(18)14-9-12-7-5-6-8-13(12)10-16-14/h5-8,11,14,16H,4,9-10H2,1-3H3.
What are the key properties of N-ethyl-N-propan-2-yl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
N-ethyl-N-propan-2-yl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide has a molecular weight of 246.35 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-propan-2-yl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide is sourced from PubChem (CID 43265856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).