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

C19H27N3O2 — CID 16837408

IUPACN'-prop-2-enyl-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]oxamide
SMILESC=CCNC(=O)C(=O)NCCc1ccc2c(c1)CCCN2CCC
InChIInChI=1S/C19H27N3O2/c1-3-10-20-18(23)19(24)21-11-9-15-7-8-17-16(14-15)6-5-13-22(17)12-4-2/h3,7-8,14H,1,4-6,9-13H2,2H3,(H,20,23)(H,21,24)
InChIKeyOFJSVYPUBUUVAB-UHFFFAOYSA-N
MW329.44 g/mol
LogP1.81
Rot. Bonds7

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

N'-prop-2-enyl-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]oxamide (PubChem CID 16837408) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is N'-prop-2-enyl-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]oxamide.

Molecular Properties

Compound NameN'-prop-2-enyl-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]oxamide
PubChem CID16837408
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC NameN'-prop-2-enyl-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]oxamide
SMILESC=CCNC(=O)C(=O)NCCc1ccc2c(c1)CCCN2CCC
InChIInChI=1S/C19H27N3O2/c1-3-10-20-18(23)19(24)21-11-9-15-7-8-17-16(14-15)6-5-13-22(17)12-4-2/h3,7-8,14H,1,4-6,9-13H2,2H3,(H,20,23)(H,21,24)
InChIKeyOFJSVYPUBUUVAB-UHFFFAOYSA-N
XLogP1.81
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-prop-2-enyl-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]oxamide?
The IUPAC name of N'-prop-2-enyl-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]oxamide (CID 16837408) is N'-prop-2-enyl-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]oxamide.
What is the SMILES notation for N'-prop-2-enyl-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]oxamide?
The canonical SMILES for N'-prop-2-enyl-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]oxamide is C=CCNC(=O)C(=O)NCCc1ccc2c(c1)CCCN2CCC.
What is the InChIKey of N'-prop-2-enyl-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]oxamide?
The InChIKey is OFJSVYPUBUUVAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-3-10-20-18(23)19(24)21-11-9-15-7-8-17-16(14-15)6-5-13-22(17)12-4-2/h3,7-8,14H,1,4-6,9-13H2,2H3,(H,20,23)(H,21,24).
What are the key properties of N'-prop-2-enyl-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]oxamide?
N'-prop-2-enyl-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]oxamide has a molecular weight of 329.44 g/mol, XLogP of 1.81, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-prop-2-enyl-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]oxamide is sourced from PubChem (CID 16837408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).