N-[2-(3-ethylphenoxy)ethyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide

C20H24N2O2 — CID 112971854

IUPACN-[2-(3-ethylphenoxy)ethyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESCCc1cccc(OCCNC(=O)N2CCc3ccccc3C2)c1
InChIInChI=1S/C20H24N2O2/c1-2-16-6-5-9-19(14-16)24-13-11-21-20(23)22-12-10-17-7-3-4-8-18(17)15-22/h3-9,14H,2,10-13,15H2,1H3,(H,21,23)
InChIKeyPOKKCOUOHGUUCP-UHFFFAOYSA-N
MW324.42 g/mol
LogP3.40
Rot. Bonds5

About N-[2-(3-ethylphenoxy)ethyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide

N-[2-(3-ethylphenoxy)ethyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide (PubChem CID 112971854) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is N-[2-(3-ethylphenoxy)ethyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3-ethylphenoxy)ethyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
PubChem CID112971854
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC NameN-[2-(3-ethylphenoxy)ethyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESCCc1cccc(OCCNC(=O)N2CCc3ccccc3C2)c1
InChIInChI=1S/C20H24N2O2/c1-2-16-6-5-9-19(14-16)24-13-11-21-20(23)22-12-10-17-7-3-4-8-18(17)15-22/h3-9,14H,2,10-13,15H2,1H3,(H,21,23)
InChIKeyPOKKCOUOHGUUCP-UHFFFAOYSA-N
XLogP3.40
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3-methylphenoxy)ethyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 41253166
N-[2-(3-ethylphenoxy)ethyl]pyrrolidine-1-carboxamide
CID 112971818
N-[2-(2,4,5-trimethylphenoxy)ethyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 112974432
N-[2-(3-ethylphenoxy)ethyl]-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide
CID 112971880
2-[2-(3,4-dihydro-1H-isoquinoline-2-carbonylamino)ethoxy]acetic acid
CID 79463816
N-pentyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 108989142
N-[2-(3-ethoxyphenoxy)ethyl]-4-methylpiperazine-1-carboxamide
CID 112972956
N-[2-(3-methoxyphenoxy)ethyl]-2,3-dihydroindole-1-carboxamide
CID 112971555
3-[2-(3-ethylphenoxy)ethyl]-1-methyl-1-phenylurea
CID 112971905
N-[2-(3-ethylphenoxy)ethyl]-2-(3-methylphenyl)acetamide
CID 113100017
N-(cyanomethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 108864780
4-benzyl-N-[2-(3-methylphenoxy)ethyl]piperidine-1-carboxamide
CID 112969940

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-ethylphenoxy)ethyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The IUPAC name of N-[2-(3-ethylphenoxy)ethyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide (CID 112971854) is N-[2-(3-ethylphenoxy)ethyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide.
What is the SMILES notation for N-[2-(3-ethylphenoxy)ethyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The canonical SMILES for N-[2-(3-ethylphenoxy)ethyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide is CCc1cccc(OCCNC(=O)N2CCc3ccccc3C2)c1.
What is the InChIKey of N-[2-(3-ethylphenoxy)ethyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The InChIKey is POKKCOUOHGUUCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-2-16-6-5-9-19(14-16)24-13-11-21-20(23)22-12-10-17-7-3-4-8-18(17)15-22/h3-9,14H,2,10-13,15H2,1H3,(H,21,23).
What are the key properties of N-[2-(3-ethylphenoxy)ethyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide?
N-[2-(3-ethylphenoxy)ethyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide has a molecular weight of 324.42 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-ethylphenoxy)ethyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide is sourced from PubChem (CID 112971854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).