N-[2-(2-methoxyphenoxy)ethyl]-N'-(4-oxo-1H-pyridin-3-yl)oxamide

C16H17N3O5 — CID 51043477

IUPACN-[2-(2-methoxyphenoxy)ethyl]-N'-(4-oxo-1H-pyridin-3-yl)oxamide
SMILESCOc1ccccc1OCCNC(=O)C(=O)Nc1c[nH]ccc1=O
InChIInChI=1S/C16H17N3O5/c1-23-13-4-2-3-5-14(13)24-9-8-18-15(21)16(22)19-11-10-17-7-6-12(11)20/h2-7,10H,8-9H2,1H3,(H,17,20)(H,18,21)(H,19,22)
InChIKeyQHWXSSBQDUTOEU-UHFFFAOYSA-N
MW331.33 g/mol
LogP0.52
Rot. Bonds6

About N-[2-(2-methoxyphenoxy)ethyl]-N'-(4-oxo-1H-pyridin-3-yl)oxamide

N-[2-(2-methoxyphenoxy)ethyl]-N'-(4-oxo-1H-pyridin-3-yl)oxamide (PubChem CID 51043477) has the molecular formula C16H17N3O5 and a molecular weight of 331.33 g/mol. Its IUPAC name is N-[2-(2-methoxyphenoxy)ethyl]-N'-(4-oxo-1H-pyridin-3-yl)oxamide.

Molecular Properties

Compound NameN-[2-(2-methoxyphenoxy)ethyl]-N'-(4-oxo-1H-pyridin-3-yl)oxamide
PubChem CID51043477
Molecular FormulaC16H17N3O5
Molecular Weight331.33 g/mol
Exact Mass331.12
IUPAC NameN-[2-(2-methoxyphenoxy)ethyl]-N'-(4-oxo-1H-pyridin-3-yl)oxamide
SMILESCOc1ccccc1OCCNC(=O)C(=O)Nc1c[nH]ccc1=O
InChIInChI=1S/C16H17N3O5/c1-23-13-4-2-3-5-14(13)24-9-8-18-15(21)16(22)19-11-10-17-7-6-12(11)20/h2-7,10H,8-9H2,1H3,(H,17,20)(H,18,21)(H,19,22)
InChIKeyQHWXSSBQDUTOEU-UHFFFAOYSA-N
XLogP0.52
TPSA109.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.33
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

4-[[2-[2-(2-methoxyphenoxy)ethylamino]-2-oxoacetyl]amino]benzoic acid
CID 52901811
N-(2-methoxyethyl)-N'-(2-methoxyphenyl)oxamide
CID 2250932
1-[2-(2-methoxyphenoxy)ethyl]-3-(2-methoxyphenyl)urea
CID 17171255
N-[2-(2-methoxyphenoxy)ethyl]-2-methylpropanamide
CID 113099759
1-[2-(2-methoxyphenoxy)ethyl]-3-(2-methylphenyl)urea
CID 112971428
2-benzamido-N-[2-(2-methoxyphenoxy)ethyl]benzamide
CID 26549757
1-(2-tert-butylphenyl)-3-[2-(2-methoxyphenoxy)ethyl]urea
CID 112971443
2-(2-methoxyphenoxy)-N-[2-(1H-pyrrol-3-yl)ethyl]acetamide
CID 110789371
1-[2-(2-methoxyphenoxy)ethyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 112971460
1-(2-ethylphenyl)-3-[2-(2-methoxyphenoxy)ethyl]thiourea
CID 17322071
N-[2-methoxy-4-[2-(2-methoxyphenoxy)ethylcarbamoylamino]phenyl]acetamide
CID 55744137
N-butyl-N'-(2-methoxyphenyl)oxamide
CID 2247832

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyphenoxy)ethyl]-N'-(4-oxo-1H-pyridin-3-yl)oxamide?
The IUPAC name of N-[2-(2-methoxyphenoxy)ethyl]-N'-(4-oxo-1H-pyridin-3-yl)oxamide (CID 51043477) is N-[2-(2-methoxyphenoxy)ethyl]-N'-(4-oxo-1H-pyridin-3-yl)oxamide.
What is the SMILES notation for N-[2-(2-methoxyphenoxy)ethyl]-N'-(4-oxo-1H-pyridin-3-yl)oxamide?
The canonical SMILES for N-[2-(2-methoxyphenoxy)ethyl]-N'-(4-oxo-1H-pyridin-3-yl)oxamide is COc1ccccc1OCCNC(=O)C(=O)Nc1c[nH]ccc1=O.
What is the InChIKey of N-[2-(2-methoxyphenoxy)ethyl]-N'-(4-oxo-1H-pyridin-3-yl)oxamide?
The InChIKey is QHWXSSBQDUTOEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O5/c1-23-13-4-2-3-5-14(13)24-9-8-18-15(21)16(22)19-11-10-17-7-6-12(11)20/h2-7,10H,8-9H2,1H3,(H,17,20)(H,18,21)(H,19,22).
What are the key properties of N-[2-(2-methoxyphenoxy)ethyl]-N'-(4-oxo-1H-pyridin-3-yl)oxamide?
N-[2-(2-methoxyphenoxy)ethyl]-N'-(4-oxo-1H-pyridin-3-yl)oxamide has a molecular weight of 331.33 g/mol, XLogP of 0.52, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyphenoxy)ethyl]-N'-(4-oxo-1H-pyridin-3-yl)oxamide is sourced from PubChem (CID 51043477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).