N-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-2-(2-methoxyphenoxy)propanamide

C22H28N2O3 — CID 132655246

IUPACN-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-2-(2-methoxyphenoxy)propanamide
SMILESCOc1ccccc1OC(C)C(=O)NCCCN1CCCc2ccccc21
InChIInChI=1S/C22H28N2O3/c1-17(27-21-13-6-5-12-20(21)26-2)22(25)23-14-8-16-24-15-7-10-18-9-3-4-11-19(18)24/h3-6,9,11-13,17H,7-8,10,14-16H2,1-2H3,(H,23,25)
InChIKeyNGUCSBSGDKMYIZ-UHFFFAOYSA-N
MW368.48 g/mol
LogP3.42
Rot. Bonds8

About N-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-2-(2-methoxyphenoxy)propanamide

N-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-2-(2-methoxyphenoxy)propanamide (PubChem CID 132655246) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is N-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-2-(2-methoxyphenoxy)propanamide.

Molecular Properties

Compound NameN-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-2-(2-methoxyphenoxy)propanamide
PubChem CID132655246
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC NameN-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-2-(2-methoxyphenoxy)propanamide
SMILESCOc1ccccc1OC(C)C(=O)NCCCN1CCCc2ccccc21
InChIInChI=1S/C22H28N2O3/c1-17(27-21-13-6-5-12-20(21)26-2)22(25)23-14-8-16-24-15-7-10-18-9-3-4-11-19(18)24/h3-6,9,11-13,17H,7-8,10,14-16H2,1-2H3,(H,23,25)
InChIKeyNGUCSBSGDKMYIZ-UHFFFAOYSA-N
XLogP3.42
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R)-N-[3-(2,3-dihydroindol-1-yl)propyl]-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
CID 100562553
(2R)-N-[3-(2,3-dihydroindol-1-yl)propyl]-2-(2-propan-2-ylphenoxy)propanamide
CID 30387653
(2S)-N-[3-(2,3-dihydroindol-1-yl)propyl]-2-(2,3,5-trimethylphenoxy)propanamide
CID 28636355
2-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]propanamide
CID 61274113
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(2-methoxyphenoxy)propan-1-one
CID 4943207
(2R)-N-butyl-2-(2-methoxyphenoxy)propanamide
CID 40745436
N-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-2-(3,5-dimethylphenoxy)butanamide
CID 132657155
N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-2-methoxyaniline
CID 54806801
N-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide
CID 46963655
(2R)-N-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanamide
CID 51495865
2-(2-chlorophenoxy)-N-[3-(2,3-dihydroindol-1-yl)propyl]butanamide
CID 46763359
N-[3-(2,3-dihydroindol-1-yl)propyl]-2-(3,4-dimethoxyphenyl)sulfanylacetamide
CID 28635305

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-2-(2-methoxyphenoxy)propanamide?
The IUPAC name of N-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-2-(2-methoxyphenoxy)propanamide (CID 132655246) is N-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-2-(2-methoxyphenoxy)propanamide.
What is the SMILES notation for N-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-2-(2-methoxyphenoxy)propanamide?
The canonical SMILES for N-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-2-(2-methoxyphenoxy)propanamide is COc1ccccc1OC(C)C(=O)NCCCN1CCCc2ccccc21.
What is the InChIKey of N-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-2-(2-methoxyphenoxy)propanamide?
The InChIKey is NGUCSBSGDKMYIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-17(27-21-13-6-5-12-20(21)26-2)22(25)23-14-8-16-24-15-7-10-18-9-3-4-11-19(18)24/h3-6,9,11-13,17H,7-8,10,14-16H2,1-2H3,(H,23,25).
What are the key properties of N-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-2-(2-methoxyphenoxy)propanamide?
N-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-2-(2-methoxyphenoxy)propanamide has a molecular weight of 368.48 g/mol, XLogP of 3.42, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,4-dihydro-2H-quinolin-1-yl)propyl]-2-(2-methoxyphenoxy)propanamide is sourced from PubChem (CID 132655246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).