N'-[(4-methylphenyl)methyl]-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]oxamide

C24H31N3O2 — CID 16837402

IUPACN'-[(4-methylphenyl)methyl]-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]oxamide
SMILESCCCN1CCCc2cc(CCNC(=O)C(=O)NCc3ccc(C)cc3)ccc21
InChIInChI=1S/C24H31N3O2/c1-3-14-27-15-4-5-21-16-19(10-11-22(21)27)12-13-25-23(28)24(29)26-17-20-8-6-18(2)7-9-20/h6-11,16H,3-5,12-15,17H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyYVKDUWGYVHLZTD-UHFFFAOYSA-N
MW393.53 g/mol
LogP3.13
Rot. Bonds7

About N'-[(4-methylphenyl)methyl]-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]oxamide

N'-[(4-methylphenyl)methyl]-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]oxamide (PubChem CID 16837402) has the molecular formula C24H31N3O2 and a molecular weight of 393.53 g/mol. Its IUPAC name is N'-[(4-methylphenyl)methyl]-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]oxamide.

Molecular Properties

Compound NameN'-[(4-methylphenyl)methyl]-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]oxamide
PubChem CID16837402
Molecular FormulaC24H31N3O2
Molecular Weight393.53 g/mol
Exact Mass393.24
IUPAC NameN'-[(4-methylphenyl)methyl]-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]oxamide
SMILESCCCN1CCCc2cc(CCNC(=O)C(=O)NCc3ccc(C)cc3)ccc21
InChIInChI=1S/C24H31N3O2/c1-3-14-27-15-4-5-21-16-19(10-11-22(21)27)12-13-25-23(28)24(29)26-17-20-8-6-18(2)7-9-20/h6-11,16H,3-5,12-15,17H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyYVKDUWGYVHLZTD-UHFFFAOYSA-N
XLogP3.13
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]-N'-(thiophen-2-ylmethyl)oxamide
CID 16837431
N'-[[(2S)-oxolan-2-yl]methyl]-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]oxamide
CID 42065366
3,4-dimethyl-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]benzamide
CID 16837172
N'-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]-N-propyloxamide
CID 16837312
N'-(1,2-oxazol-3-yl)-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]oxamide
CID 16837421
N'-(2-cyanophenyl)-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]oxamide
CID 16837423
2-chloro-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]benzamide
CID 16837170
1-benzhydryl-3-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]urea
CID 30379546
1-(2-ethoxyphenyl)-3-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]urea
CID 30379595
N-[2-(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]-N'-(3-fluoro-4-methylphenyl)oxamide
CID 16837538
N'-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-N-[(4-methylphenyl)methyl]oxamide
CID 7656803
N'-cyclopentyl-N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]oxamide
CID 16837305

Frequently Asked Questions

What is the IUPAC name of N'-[(4-methylphenyl)methyl]-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]oxamide?
The IUPAC name of N'-[(4-methylphenyl)methyl]-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]oxamide (CID 16837402) is N'-[(4-methylphenyl)methyl]-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]oxamide.
What is the SMILES notation for N'-[(4-methylphenyl)methyl]-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]oxamide?
The canonical SMILES for N'-[(4-methylphenyl)methyl]-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]oxamide is CCCN1CCCc2cc(CCNC(=O)C(=O)NCc3ccc(C)cc3)ccc21.
What is the InChIKey of N'-[(4-methylphenyl)methyl]-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]oxamide?
The InChIKey is YVKDUWGYVHLZTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O2/c1-3-14-27-15-4-5-21-16-19(10-11-22(21)27)12-13-25-23(28)24(29)26-17-20-8-6-18(2)7-9-20/h6-11,16H,3-5,12-15,17H2,1-2H3,(H,25,28)(H,26,29).
What are the key properties of N'-[(4-methylphenyl)methyl]-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]oxamide?
N'-[(4-methylphenyl)methyl]-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]oxamide has a molecular weight of 393.53 g/mol, XLogP of 3.13, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4-methylphenyl)methyl]-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]oxamide is sourced from PubChem (CID 16837402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).