N-[2-(2,3,6-trimethylphenoxy)ethyl]-3,4-dihydro-2H-quinoline-1-carboxamide

C21H26N2O2 — CID 112974330

IUPACN-[2-(2,3,6-trimethylphenoxy)ethyl]-3,4-dihydro-2H-quinoline-1-carboxamide
SMILESCc1ccc(C)c(OCCNC(=O)N2CCCc3ccccc32)c1C
InChIInChI=1S/C21H26N2O2/c1-15-10-11-16(2)20(17(15)3)25-14-12-22-21(24)23-13-6-8-18-7-4-5-9-19(18)23/h4-5,7,9-11H,6,8,12-14H2,1-3H3,(H,22,24)
InChIKeySUHZJNIVQSOHOC-UHFFFAOYSA-N
MW338.45 g/mol
LogP4.15
Rot. Bonds4

About N-[2-(2,3,6-trimethylphenoxy)ethyl]-3,4-dihydro-2H-quinoline-1-carboxamide

N-[2-(2,3,6-trimethylphenoxy)ethyl]-3,4-dihydro-2H-quinoline-1-carboxamide (PubChem CID 112974330) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is N-[2-(2,3,6-trimethylphenoxy)ethyl]-3,4-dihydro-2H-quinoline-1-carboxamide.

Molecular Properties

Compound NameN-[2-(2,3,6-trimethylphenoxy)ethyl]-3,4-dihydro-2H-quinoline-1-carboxamide
PubChem CID112974330
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC NameN-[2-(2,3,6-trimethylphenoxy)ethyl]-3,4-dihydro-2H-quinoline-1-carboxamide
SMILESCc1ccc(C)c(OCCNC(=O)N2CCCc3ccccc32)c1C
InChIInChI=1S/C21H26N2O2/c1-15-10-11-16(2)20(17(15)3)25-14-12-22-21(24)23-13-6-8-18-7-4-5-9-19(18)23/h4-5,7,9-11H,6,8,12-14H2,1-3H3,(H,22,24)
InChIKeySUHZJNIVQSOHOC-UHFFFAOYSA-N
XLogP4.15
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 54.15
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-methoxyethyl)-2,3-dihydroindole-1-carboxamide
CID 47193672
N-[2-(2-chloro-4-fluorophenoxy)ethyl]-3,4-dihydro-2H-quinoline-1-carboxamide
CID 112977042
N-[2-(3,4,5-trimethoxyphenyl)ethyl]-3,4-dihydro-2H-quinoline-1-carboxamide
CID 113217131
N-(3-phenylpropyl)-3,4-dihydro-2H-quinoline-1-carboxamide
CID 108990483
N-[2-(3-methoxyphenoxy)ethyl]-2,3-dihydroindole-1-carboxamide
CID 112971555
4-formyl-N-[2-(2,3,6-trimethylphenoxy)ethyl]piperazine-1-carboxamide
CID 112974263
N-[(2-ethylphenoxy)methyl]-3,4-dihydro-2H-quinoline-1-carboxamide
CID 108893210
N-(oxiran-2-ylmethyl)-3,4-dihydro-2H-quinoline-1-carboxamide
CID 150484451
3-(3,4-dihydro-2H-quinoline-1-carbonylamino)-2-methylpropanoic acid
CID 62669562
N-(2-methyl-2-phenylpropyl)-3,4-dihydro-2H-quinoline-1-carboxamide
CID 113213261
N-[2-[4-(hydroxycarbamoyl)phenoxy]ethyl]-2,3-dihydroindole-1-carboxamide
CID 87108850
N-(3-phenylpropyl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 69224185

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3,6-trimethylphenoxy)ethyl]-3,4-dihydro-2H-quinoline-1-carboxamide?
The IUPAC name of N-[2-(2,3,6-trimethylphenoxy)ethyl]-3,4-dihydro-2H-quinoline-1-carboxamide (CID 112974330) is N-[2-(2,3,6-trimethylphenoxy)ethyl]-3,4-dihydro-2H-quinoline-1-carboxamide.
What is the SMILES notation for N-[2-(2,3,6-trimethylphenoxy)ethyl]-3,4-dihydro-2H-quinoline-1-carboxamide?
The canonical SMILES for N-[2-(2,3,6-trimethylphenoxy)ethyl]-3,4-dihydro-2H-quinoline-1-carboxamide is Cc1ccc(C)c(OCCNC(=O)N2CCCc3ccccc32)c1C.
What is the InChIKey of N-[2-(2,3,6-trimethylphenoxy)ethyl]-3,4-dihydro-2H-quinoline-1-carboxamide?
The InChIKey is SUHZJNIVQSOHOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-15-10-11-16(2)20(17(15)3)25-14-12-22-21(24)23-13-6-8-18-7-4-5-9-19(18)23/h4-5,7,9-11H,6,8,12-14H2,1-3H3,(H,22,24).
What are the key properties of N-[2-(2,3,6-trimethylphenoxy)ethyl]-3,4-dihydro-2H-quinoline-1-carboxamide?
N-[2-(2,3,6-trimethylphenoxy)ethyl]-3,4-dihydro-2H-quinoline-1-carboxamide has a molecular weight of 338.45 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3,6-trimethylphenoxy)ethyl]-3,4-dihydro-2H-quinoline-1-carboxamide is sourced from PubChem (CID 112974330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).