N-(2,2-dimethoxyethyl)-N'-[1-(4-methoxyphenyl)ethyl]oxamide

C15H22N2O5 — CID 108510377

IUPACN-(2,2-dimethoxyethyl)-N'-[1-(4-methoxyphenyl)ethyl]oxamide
SMILESCOc1ccc(C(C)NC(=O)C(=O)NCC(OC)OC)cc1
InChIInChI=1S/C15H22N2O5/c1-10(11-5-7-12(20-2)8-6-11)17-15(19)14(18)16-9-13(21-3)22-4/h5-8,10,13H,9H2,1-4H3,(H,16,18)(H,17,19)
InChIKeyGXWMAZYZEZXZHA-UHFFFAOYSA-N
MW310.35 g/mol
LogP0.61
Rot. Bonds7

About N-(2,2-dimethoxyethyl)-N'-[1-(4-methoxyphenyl)ethyl]oxamide

N-(2,2-dimethoxyethyl)-N'-[1-(4-methoxyphenyl)ethyl]oxamide (PubChem CID 108510377) has the molecular formula C15H22N2O5 and a molecular weight of 310.35 g/mol. Its IUPAC name is N-(2,2-dimethoxyethyl)-N'-[1-(4-methoxyphenyl)ethyl]oxamide.

Molecular Properties

Compound NameN-(2,2-dimethoxyethyl)-N'-[1-(4-methoxyphenyl)ethyl]oxamide
PubChem CID108510377
Molecular FormulaC15H22N2O5
Molecular Weight310.35 g/mol
Exact Mass310.15
IUPAC NameN-(2,2-dimethoxyethyl)-N'-[1-(4-methoxyphenyl)ethyl]oxamide
SMILESCOc1ccc(C(C)NC(=O)C(=O)NCC(OC)OC)cc1
InChIInChI=1S/C15H22N2O5/c1-10(11-5-7-12(20-2)8-6-11)17-15(19)14(18)16-9-13(21-3)22-4/h5-8,10,13H,9H2,1-4H3,(H,16,18)(H,17,19)
InChIKeyGXWMAZYZEZXZHA-UHFFFAOYSA-N
XLogP0.61
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[(2S)-butan-2-yl]-N'-[(1R)-1-(4-methoxyphenyl)ethyl]oxamide
CID 124605637
N'-[1-(4-methoxyphenyl)ethyl]-N-[(4-methylphenyl)methyl]oxamide
CID 108510275
N'-(2,2-dimethoxyethyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide
CID 44997779
2-(4-methoxyphenyl)-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
CID 94843836
N'-[1-(4-methoxyphenyl)ethyl]-N-(pyridin-3-ylmethyl)oxamide
CID 3136550
1-(methoxymethyl)-3-[1-(4-methoxyphenyl)ethyl]urea
CID 108893562
2-amino-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
CID 81364080
2-bromo-N-[(1S)-1-(4-methoxyphenyl)ethyl]acetamide
CID 81370298
N'-[1-(4-methoxyphenyl)ethyl]-N-[2-(4-sulfamoylphenyl)ethyl]oxamide
CID 108510380
N-[1-(4-methoxyphenyl)ethyl]-N'-(1,2,4-triazol-4-yl)oxamide
CID 108510281
1-N,4-N-bis[(1S)-1-(4-methoxyphenyl)ethyl]benzene-1,4-dicarboxamide
CID 2211003
N'-[1-(4-methoxyphenyl)ethyl]-N-(3-morpholin-4-ylpropyl)oxamide
CID 108510277

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethoxyethyl)-N'-[1-(4-methoxyphenyl)ethyl]oxamide?
The IUPAC name of N-(2,2-dimethoxyethyl)-N'-[1-(4-methoxyphenyl)ethyl]oxamide (CID 108510377) is N-(2,2-dimethoxyethyl)-N'-[1-(4-methoxyphenyl)ethyl]oxamide.
What is the SMILES notation for N-(2,2-dimethoxyethyl)-N'-[1-(4-methoxyphenyl)ethyl]oxamide?
The canonical SMILES for N-(2,2-dimethoxyethyl)-N'-[1-(4-methoxyphenyl)ethyl]oxamide is COc1ccc(C(C)NC(=O)C(=O)NCC(OC)OC)cc1.
What is the InChIKey of N-(2,2-dimethoxyethyl)-N'-[1-(4-methoxyphenyl)ethyl]oxamide?
The InChIKey is GXWMAZYZEZXZHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O5/c1-10(11-5-7-12(20-2)8-6-11)17-15(19)14(18)16-9-13(21-3)22-4/h5-8,10,13H,9H2,1-4H3,(H,16,18)(H,17,19).
What are the key properties of N-(2,2-dimethoxyethyl)-N'-[1-(4-methoxyphenyl)ethyl]oxamide?
N-(2,2-dimethoxyethyl)-N'-[1-(4-methoxyphenyl)ethyl]oxamide has a molecular weight of 310.35 g/mol, XLogP of 0.61, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethoxyethyl)-N'-[1-(4-methoxyphenyl)ethyl]oxamide is sourced from PubChem (CID 108510377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).