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

C21H31N3O3 — CID 16837446

IUPACN'-(oxolan-2-ylmethyl)-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]oxamide
SMILESCCCN1CCCc2cc(CCNC(=O)C(=O)NCC3CCCO3)ccc21
InChIInChI=1S/C21H31N3O3/c1-2-11-24-12-3-5-17-14-16(7-8-19(17)24)9-10-22-20(25)21(26)23-15-18-6-4-13-27-18/h7-8,14,18H,2-6,9-13,15H2,1H3,(H,22,25)(H,23,26)
InChIKeyFZFFALPIPBKSAT-UHFFFAOYSA-N
MW373.50 g/mol
LogP1.80
Rot. Bonds7

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

N'-(oxolan-2-ylmethyl)-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]oxamide (PubChem CID 16837446) has the molecular formula C21H31N3O3 and a molecular weight of 373.50 g/mol. Its IUPAC name is N'-(oxolan-2-ylmethyl)-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]oxamide.

Molecular Properties

Compound NameN'-(oxolan-2-ylmethyl)-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]oxamide
PubChem CID16837446
Molecular FormulaC21H31N3O3
Molecular Weight373.50 g/mol
Exact Mass373.24
IUPAC NameN'-(oxolan-2-ylmethyl)-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]oxamide
SMILESCCCN1CCCc2cc(CCNC(=O)C(=O)NCC3CCCO3)ccc21
InChIInChI=1S/C21H31N3O3/c1-2-11-24-12-3-5-17-14-16(7-8-19(17)24)9-10-22-20(25)21(26)23-15-18-6-4-13-27-18/h7-8,14,18H,2-6,9-13,15H2,1H3,(H,22,25)(H,23,26)
InChIKeyFZFFALPIPBKSAT-UHFFFAOYSA-N
XLogP1.80
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(3-methylphenyl)-N-(oxolan-2-ylmethyl)oxamide
CID 551256
N'-(2,4-dimethylphenyl)-N-(3-morpholin-4-ylpropyl)oxamide
CID 1912438
N'-(3,5-dimethylphenyl)-N-(3-morpholin-4-ylpropyl)oxamide
CID 2258010
N'-(4-ethylphenyl)-N-(oxolan-2-ylmethyl)oxamide
CID 2883455
N-(3,4-dimethylphenyl)-N'-(tetrahydrofuran-2-ylmethyl)ethanediamide
CID 3136544
6-Methyl-3-morpholin-4-yl-4-phenyl-1H-quinolin-2-one
CID 742145
N-(4-methylphenyl)-2-morpholinoacetamide
CID 687267
Morlincain
CID 53279
N-(4-tert-butyl-2,6-dimethylphenyl)-2-(4-morpholinyl)acetamide
CID 832498
N'-(2,6-dimethylphenyl)-N-(3-morpholin-4-ylpropyl)oxamide
CID 2291523
2-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-methoxyethylcarbamoyl)acetamide
CID 2539881
N'-(4-methylphenyl)-N-(oxolan-2-ylmethyl)oxamide
CID 2883500

Frequently Asked Questions

What is the IUPAC name of N'-(oxolan-2-ylmethyl)-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]oxamide?
The IUPAC name of N'-(oxolan-2-ylmethyl)-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]oxamide (CID 16837446) is N'-(oxolan-2-ylmethyl)-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]oxamide.
What is the SMILES notation for N'-(oxolan-2-ylmethyl)-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]oxamide?
The canonical SMILES for N'-(oxolan-2-ylmethyl)-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]oxamide is CCCN1CCCc2cc(CCNC(=O)C(=O)NCC3CCCO3)ccc21.
What is the InChIKey of N'-(oxolan-2-ylmethyl)-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]oxamide?
The InChIKey is FZFFALPIPBKSAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O3/c1-2-11-24-12-3-5-17-14-16(7-8-19(17)24)9-10-22-20(25)21(26)23-15-18-6-4-13-27-18/h7-8,14,18H,2-6,9-13,15H2,1H3,(H,22,25)(H,23,26).
What are the key properties of N'-(oxolan-2-ylmethyl)-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]oxamide?
N'-(oxolan-2-ylmethyl)-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]oxamide has a molecular weight of 373.50 g/mol, XLogP of 1.80, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(oxolan-2-ylmethyl)-N-[2-(1-propyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]oxamide is sourced from PubChem (CID 16837446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).