N,N-dimethyl-2-[3-(8-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)phenoxy]acetamide

C21H24N2O3 — CID 55773243

IUPACN,N-dimethyl-2-[3-(8-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)phenoxy]acetamide
SMILESCc1cccc2c1N(C(=O)c1cccc(OCC(=O)N(C)C)c1)CCC2
InChIInChI=1S/C21H24N2O3/c1-15-7-4-8-16-10-6-12-23(20(15)16)21(25)17-9-5-11-18(13-17)26-14-19(24)22(2)3/h4-5,7-9,11,13H,6,10,12,14H2,1-3H3
InChIKeyNEHVVUBJOFPXFQ-UHFFFAOYSA-N
MW352.43 g/mol
LogP3.06
Rot. Bonds4

About N,N-dimethyl-2-[3-(8-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)phenoxy]acetamide

N,N-dimethyl-2-[3-(8-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)phenoxy]acetamide (PubChem CID 55773243) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is N,N-dimethyl-2-[3-(8-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)phenoxy]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[3-(8-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)phenoxy]acetamide
PubChem CID55773243
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC NameN,N-dimethyl-2-[3-(8-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)phenoxy]acetamide
SMILESCc1cccc2c1N(C(=O)c1cccc(OCC(=O)N(C)C)c1)CCC2
InChIInChI=1S/C21H24N2O3/c1-15-7-4-8-16-10-6-12-23(20(15)16)21(25)17-9-5-11-18(13-17)26-14-19(24)22(2)3/h4-5,7-9,11,13H,6,10,12,14H2,1-3H3
InChIKeyNEHVVUBJOFPXFQ-UHFFFAOYSA-N
XLogP3.06
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(dimethylamino)-2-oxoethoxy]benzoic acid
CID 16769869
2-methoxy-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 60721467
(3-chloro-4,5-dimethoxyphenyl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 51289133
(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methanone
CID 52909095
(7-methyl-2,3-dihydroindol-1-yl)-naphthalen-2-ylmethanone
CID 112835715
N-[3-(8-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]-3-phenylpropanamide
CID 1046640
7-[2-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]chromen-2-one
CID 51289110
5-(8-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-1H-pyridin-2-one
CID 60704811
(4-chloro-6-methyl-3-pyridinyl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 81229573
3,4-dihydro-2H-quinolin-1-yl-(3-methoxyphenyl)methanone
CID 755245
(5-amino-2-methylphenyl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 61290980
(3,4-dimethoxyphenyl)-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 17234056

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[3-(8-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)phenoxy]acetamide?
The IUPAC name of N,N-dimethyl-2-[3-(8-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)phenoxy]acetamide (CID 55773243) is N,N-dimethyl-2-[3-(8-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)phenoxy]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[3-(8-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)phenoxy]acetamide?
The canonical SMILES for N,N-dimethyl-2-[3-(8-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)phenoxy]acetamide is Cc1cccc2c1N(C(=O)c1cccc(OCC(=O)N(C)C)c1)CCC2.
What is the InChIKey of N,N-dimethyl-2-[3-(8-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)phenoxy]acetamide?
The InChIKey is NEHVVUBJOFPXFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-15-7-4-8-16-10-6-12-23(20(15)16)21(25)17-9-5-11-18(13-17)26-14-19(24)22(2)3/h4-5,7-9,11,13H,6,10,12,14H2,1-3H3.
What are the key properties of N,N-dimethyl-2-[3-(8-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)phenoxy]acetamide?
N,N-dimethyl-2-[3-(8-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)phenoxy]acetamide has a molecular weight of 352.43 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[3-(8-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)phenoxy]acetamide is sourced from PubChem (CID 55773243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).