N'-[(2-methoxy-4-methylcyclohexa-1,5-dien-1-yl)methyl]-N-(2-pyridin-2-ylethyl)oxamide

C18H23N3O3 — CID 71157478

IUPACN'-[(2-methoxy-4-methylcyclohexa-1,5-dien-1-yl)methyl]-N-(2-pyridin-2-ylethyl)oxamide
SMILESCOC1=C(CNC(=O)C(=O)NCCc2ccccn2)C=CC(C)C1
InChIInChI=1S/C18H23N3O3/c1-13-6-7-14(16(11-13)24-2)12-21-18(23)17(22)20-10-8-15-5-3-4-9-19-15/h3-7,9,13H,8,10-12H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyLWOZDSKPRTZMIS-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.35
Rot. Bonds6

About N'-[(2-methoxy-4-methylcyclohexa-1,5-dien-1-yl)methyl]-N-(2-pyridin-2-ylethyl)oxamide

N'-[(2-methoxy-4-methylcyclohexa-1,5-dien-1-yl)methyl]-N-(2-pyridin-2-ylethyl)oxamide (PubChem CID 71157478) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is N'-[(2-methoxy-4-methylcyclohexa-1,5-dien-1-yl)methyl]-N-(2-pyridin-2-ylethyl)oxamide.

Molecular Properties

Compound NameN'-[(2-methoxy-4-methylcyclohexa-1,5-dien-1-yl)methyl]-N-(2-pyridin-2-ylethyl)oxamide
PubChem CID71157478
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC NameN'-[(2-methoxy-4-methylcyclohexa-1,5-dien-1-yl)methyl]-N-(2-pyridin-2-ylethyl)oxamide
SMILESCOC1=C(CNC(=O)C(=O)NCCc2ccccn2)C=CC(C)C1
InChIInChI=1S/C18H23N3O3/c1-13-6-7-14(16(11-13)24-2)12-21-18(23)17(22)20-10-8-15-5-3-4-9-19-15/h3-7,9,13H,8,10-12H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyLWOZDSKPRTZMIS-UHFFFAOYSA-N
XLogP1.35
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.35
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'-benzyl-N-(2-pyridin-2-ylethyl)oxamide;ethane
CID 90877538
N'-[(2-methoxy-4-methylphenyl)methyl]-N-(2-pyridin-2-ylethyl)oxamide
CID 11221120
N'-[(1R,2S)-2-methylcyclohexyl]-N-(2-pyridin-2-ylethyl)oxamide
CID 125145010
4-(2-methoxyphenyl)-N-(2-pyridin-2-ylethyl)piperazine-1-carboxamide
CID 51274227
2-pyridin-2-ylethylcarbamothioic S-acid
CID 87074091
N'-(1,3-benzothiazol-2-ylmethyl)-N-(2-pyridin-2-ylethyl)oxamide
CID 57331135
2-methoxy-2-methyl-N-(2-pyridin-2-ylethyl)propanamide
CID 58929163
3,3-dimethyl-2-oxo-N-(2-pyridin-2-ylethyl)pentanamide
CID 126840803
ethane;2-methyl-N-(2-pyridin-2-ylethyl)propanamide
CID 142112887
cis-(1R,3S)-3-(2-pyridin-2-ylethylcarbamoyl)cyclopentane-1-carboxylic acid
CID 74235631
(1S)-3-methyl-N-(2-pyridin-2-ylethyl)cyclohexane-1-carboxamide
CID 178156221
1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(2-pyridin-2-ylethyl)urea
CID 111573294

Frequently Asked Questions

What is the IUPAC name of N'-[(2-methoxy-4-methylcyclohexa-1,5-dien-1-yl)methyl]-N-(2-pyridin-2-ylethyl)oxamide?
The IUPAC name of N'-[(2-methoxy-4-methylcyclohexa-1,5-dien-1-yl)methyl]-N-(2-pyridin-2-ylethyl)oxamide (CID 71157478) is N'-[(2-methoxy-4-methylcyclohexa-1,5-dien-1-yl)methyl]-N-(2-pyridin-2-ylethyl)oxamide.
What is the SMILES notation for N'-[(2-methoxy-4-methylcyclohexa-1,5-dien-1-yl)methyl]-N-(2-pyridin-2-ylethyl)oxamide?
The canonical SMILES for N'-[(2-methoxy-4-methylcyclohexa-1,5-dien-1-yl)methyl]-N-(2-pyridin-2-ylethyl)oxamide is COC1=C(CNC(=O)C(=O)NCCc2ccccn2)C=CC(C)C1.
What is the InChIKey of N'-[(2-methoxy-4-methylcyclohexa-1,5-dien-1-yl)methyl]-N-(2-pyridin-2-ylethyl)oxamide?
The InChIKey is LWOZDSKPRTZMIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-13-6-7-14(16(11-13)24-2)12-21-18(23)17(22)20-10-8-15-5-3-4-9-19-15/h3-7,9,13H,8,10-12H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of N'-[(2-methoxy-4-methylcyclohexa-1,5-dien-1-yl)methyl]-N-(2-pyridin-2-ylethyl)oxamide?
N'-[(2-methoxy-4-methylcyclohexa-1,5-dien-1-yl)methyl]-N-(2-pyridin-2-ylethyl)oxamide has a molecular weight of 329.40 g/mol, XLogP of 1.35, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2-methoxy-4-methylcyclohexa-1,5-dien-1-yl)methyl]-N-(2-pyridin-2-ylethyl)oxamide is sourced from PubChem (CID 71157478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).