N-[(2-ethylphenoxy)methyl]-3,4-dihydro-2H-quinoline-1-carboxamide

C19H22N2O2 — CID 108893210

IUPACN-[(2-ethylphenoxy)methyl]-3,4-dihydro-2H-quinoline-1-carboxamide
SMILESCCc1ccccc1OCNC(=O)N1CCCc2ccccc21
InChIInChI=1S/C19H22N2O2/c1-2-15-8-4-6-12-18(15)23-14-20-19(22)21-13-7-10-16-9-3-5-11-17(16)21/h3-6,8-9,11-12H,2,7,10,13-14H2,1H3,(H,20,22)
InChIKeyMYXRJXYQKWPXBK-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.75
Rot. Bonds4

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

N-[(2-ethylphenoxy)methyl]-3,4-dihydro-2H-quinoline-1-carboxamide (PubChem CID 108893210) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is N-[(2-ethylphenoxy)methyl]-3,4-dihydro-2H-quinoline-1-carboxamide.

Molecular Properties

Compound NameN-[(2-ethylphenoxy)methyl]-3,4-dihydro-2H-quinoline-1-carboxamide
PubChem CID108893210
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC NameN-[(2-ethylphenoxy)methyl]-3,4-dihydro-2H-quinoline-1-carboxamide
SMILESCCc1ccccc1OCNC(=O)N1CCCc2ccccc21
InChIInChI=1S/C19H22N2O2/c1-2-15-8-4-6-12-18(15)23-14-20-19(22)21-13-7-10-16-9-3-5-11-17(16)21/h3-6,8-9,11-12H,2,7,10,13-14H2,1H3,(H,20,22)
InChIKeyMYXRJXYQKWPXBK-UHFFFAOYSA-N
XLogP3.75
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[(4-ethoxyphenoxy)methyl]-2,3-dihydroindole-1-carboxamide
CID 108890876
N-(naphthalen-1-ylmethyl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 69223792
N-(2,6-diethylphenyl)-2,3-dihydroindole-1-carboxamide
CID 108991191
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-(2,3,6-trimethylphenoxy)ethyl]-3,4-dihydro-2H-quinoline-1-carboxamide
CID 112974330
2-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-ethylphenyl)-2-oxoacetamide
CID 108505707
2-(3,4-dihydro-2H-quinolin-1-yl)-N-[2-(2-methoxyphenyl)ethyl]-2-oxoacetamide
CID 108985370
4-(2,3-dimethylphenyl)-N-[(2-ethylphenoxy)methyl]piperazine-1-carboxamide;hydrochloride
CID 108893447
3,4-dihydro-2H-quinolin-1-yl-(2,6-dimethoxyphenyl)methanone
CID 5061013
N-(oxiran-2-ylmethyl)-3,4-dihydro-2H-quinoline-1-carboxamide
CID 150484451
N-ethyl-3,4-dihydro-2H-quinoline-1-carbothioamide
CID 4778898

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethylphenoxy)methyl]-3,4-dihydro-2H-quinoline-1-carboxamide?
The IUPAC name of N-[(2-ethylphenoxy)methyl]-3,4-dihydro-2H-quinoline-1-carboxamide (CID 108893210) is N-[(2-ethylphenoxy)methyl]-3,4-dihydro-2H-quinoline-1-carboxamide.
What is the SMILES notation for N-[(2-ethylphenoxy)methyl]-3,4-dihydro-2H-quinoline-1-carboxamide?
The canonical SMILES for N-[(2-ethylphenoxy)methyl]-3,4-dihydro-2H-quinoline-1-carboxamide is CCc1ccccc1OCNC(=O)N1CCCc2ccccc21.
What is the InChIKey of N-[(2-ethylphenoxy)methyl]-3,4-dihydro-2H-quinoline-1-carboxamide?
The InChIKey is MYXRJXYQKWPXBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-2-15-8-4-6-12-18(15)23-14-20-19(22)21-13-7-10-16-9-3-5-11-17(16)21/h3-6,8-9,11-12H,2,7,10,13-14H2,1H3,(H,20,22).
What are the key properties of N-[(2-ethylphenoxy)methyl]-3,4-dihydro-2H-quinoline-1-carboxamide?
N-[(2-ethylphenoxy)methyl]-3,4-dihydro-2H-quinoline-1-carboxamide has a molecular weight of 310.40 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethylphenoxy)methyl]-3,4-dihydro-2H-quinoline-1-carboxamide is sourced from PubChem (CID 108893210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).