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

C19H23N3O — CID 119837640

IUPACN-[2-(N-methylanilino)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
SMILESCN(CCNC(=O)C1Cc2ccccc2CN1)c1ccccc1
InChIInChI=1S/C19H23N3O/c1-22(17-9-3-2-4-10-17)12-11-20-19(23)18-13-15-7-5-6-8-16(15)14-21-18/h2-10,18,21H,11-14H2,1H3,(H,20,23)
InChIKeyRMTRYKCCZHFORP-UHFFFAOYSA-N
MW309.41 g/mol
LogP1.95
Rot. Bonds5

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

N-[2-(N-methylanilino)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide (PubChem CID 119837640) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is N-[2-(N-methylanilino)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide.

Molecular Properties

Compound NameN-[2-(N-methylanilino)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
PubChem CID119837640
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC NameN-[2-(N-methylanilino)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
SMILESCN(CCNC(=O)C1Cc2ccccc2CN1)c1ccccc1
InChIInChI=1S/C19H23N3O/c1-22(17-9-3-2-4-10-17)12-11-20-19(23)18-13-15-7-5-6-8-16(15)14-21-18/h2-10,18,21H,11-14H2,1H3,(H,20,23)
InChIKeyRMTRYKCCZHFORP-UHFFFAOYSA-N
XLogP1.95
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N-[2-(dimethylamino)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 40555754
N-[2-(dimethylamino)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;dihydrochloride
CID 42948597
(3S)-N-[2-[methyl(propan-2-yl)amino]ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 104896465
N-[3-[methyl(propan-2-yl)amino]propyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 106047759
(2S)-N-[2-(N-methylanilino)ethyl]pyrrolidine-2-carboxamide
CID 61260470
N-pentyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 24699121
5-[[(3S)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]amino]pentanoic acid
CID 103869585
(3R)-N-(4-methylpentyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 61158740
N-(3-amino-3-oxopropyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 43553630
(3S)-N-[2-(methanesulfonamido)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 104896151
N-[2-(dimethylamino)-2-methylpropyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 61250382
N-(3-methoxypropyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 4903679

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-methylanilino)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The IUPAC name of N-[2-(N-methylanilino)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide (CID 119837640) is N-[2-(N-methylanilino)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide.
What is the SMILES notation for N-[2-(N-methylanilino)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The canonical SMILES for N-[2-(N-methylanilino)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide is CN(CCNC(=O)C1Cc2ccccc2CN1)c1ccccc1.
What is the InChIKey of N-[2-(N-methylanilino)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The InChIKey is RMTRYKCCZHFORP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O/c1-22(17-9-3-2-4-10-17)12-11-20-19(23)18-13-15-7-5-6-8-16(15)14-21-18/h2-10,18,21H,11-14H2,1H3,(H,20,23).
What are the key properties of N-[2-(N-methylanilino)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
N-[2-(N-methylanilino)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide has a molecular weight of 309.41 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N-methylanilino)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide is sourced from PubChem (CID 119837640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).