N'-[(3-methoxyphenyl)methyl]-N-(3-methoxypropyl)oxamide

C14H20N2O4 — CID 2212242

IUPACN'-[(3-methoxyphenyl)methyl]-N-(3-methoxypropyl)oxamide
SMILESCOCCCNC(=O)C(=O)NCc1cccc(OC)c1
InChIInChI=1S/C14H20N2O4/c1-19-8-4-7-15-13(17)14(18)16-10-11-5-3-6-12(9-11)20-2/h3,5-6,9H,4,7-8,10H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyHWVQSZSLJAJYLT-UHFFFAOYSA-N
MW280.32 g/mol
LogP0.46
Rot. Bonds7

About N'-[(3-methoxyphenyl)methyl]-N-(3-methoxypropyl)oxamide

N'-[(3-methoxyphenyl)methyl]-N-(3-methoxypropyl)oxamide (PubChem CID 2212242) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is N'-[(3-methoxyphenyl)methyl]-N-(3-methoxypropyl)oxamide.

Molecular Properties

Compound NameN'-[(3-methoxyphenyl)methyl]-N-(3-methoxypropyl)oxamide
PubChem CID2212242
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC NameN'-[(3-methoxyphenyl)methyl]-N-(3-methoxypropyl)oxamide
SMILESCOCCCNC(=O)C(=O)NCc1cccc(OC)c1
InChIInChI=1S/C14H20N2O4/c1-19-8-4-7-15-13(17)14(18)16-10-11-5-3-6-12(9-11)20-2/h3,5-6,9H,4,7-8,10H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyHWVQSZSLJAJYLT-UHFFFAOYSA-N
XLogP0.46
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-[[3-(aminomethyl)phenyl]methyl]-N-(3-methoxypropyl)oxamide
CID 108506373
N'-[(3-methoxyphenyl)methyl]-N-methyloxamide
CID 2206408
N-[2-(dimethylamino)ethyl]-N'-[(3-methoxyphenyl)methyl]oxamide
CID 44996182
N'-[(3-methoxyphenyl)methyl]oxamide
CID 69052749
2-chloro-N-[(3-methoxyphenyl)methyl]acetamide
CID 4839545
N-(3-methoxypropyl)-N'-(pyridin-3-ylmethyl)oxamide
CID 3113992
N-[(3-methoxyphenyl)methyl]-N'-(2-methylpropyl)oxamide
CID 44902382
N-(4-methoxybutyl)-3-(3-methoxyphenyl)propanamide
CID 110418006
(2S)-2-(3-methoxyphenoxy)-N-(3-methoxypropyl)propanamide
CID 92673516
1-[3-(3-methoxyphenyl)propyl]-3-(3-methoxypropyl)-2-methylguanidine
CID 110976023
ethane;2,2,2-trifluoro-N-[(3-methoxyphenyl)methyl]acetamide
CID 143097704
N-[2-(3-methoxyphenyl)ethyl]-2-oxopropanamide
CID 110478240

Frequently Asked Questions

What is the IUPAC name of N'-[(3-methoxyphenyl)methyl]-N-(3-methoxypropyl)oxamide?
The IUPAC name of N'-[(3-methoxyphenyl)methyl]-N-(3-methoxypropyl)oxamide (CID 2212242) is N'-[(3-methoxyphenyl)methyl]-N-(3-methoxypropyl)oxamide.
What is the SMILES notation for N'-[(3-methoxyphenyl)methyl]-N-(3-methoxypropyl)oxamide?
The canonical SMILES for N'-[(3-methoxyphenyl)methyl]-N-(3-methoxypropyl)oxamide is COCCCNC(=O)C(=O)NCc1cccc(OC)c1.
What is the InChIKey of N'-[(3-methoxyphenyl)methyl]-N-(3-methoxypropyl)oxamide?
The InChIKey is HWVQSZSLJAJYLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-19-8-4-7-15-13(17)14(18)16-10-11-5-3-6-12(9-11)20-2/h3,5-6,9H,4,7-8,10H2,1-2H3,(H,15,17)(H,16,18).
What are the key properties of N'-[(3-methoxyphenyl)methyl]-N-(3-methoxypropyl)oxamide?
N'-[(3-methoxyphenyl)methyl]-N-(3-methoxypropyl)oxamide has a molecular weight of 280.32 g/mol, XLogP of 0.46, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3-methoxyphenyl)methyl]-N-(3-methoxypropyl)oxamide is sourced from PubChem (CID 2212242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).