N-(5-hydroxypentyl)-N'-(3-methoxyphenyl)oxamide

C14H20N2O4 — CID 108519583

IUPACN-(5-hydroxypentyl)-N'-(3-methoxyphenyl)oxamide
SMILESCOc1cccc(NC(=O)C(=O)NCCCCCO)c1
InChIInChI=1S/C14H20N2O4/c1-20-12-7-5-6-11(10-12)16-14(19)13(18)15-8-3-2-4-9-17/h5-7,10,17H,2-4,8-9H2,1H3,(H,15,18)(H,16,19)
InChIKeyFOQOHBZYWNXTSB-UHFFFAOYSA-N
MW280.32 g/mol
LogP0.91
Rot. Bonds7

About N-(5-hydroxypentyl)-N'-(3-methoxyphenyl)oxamide

N-(5-hydroxypentyl)-N'-(3-methoxyphenyl)oxamide (PubChem CID 108519583) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is N-(5-hydroxypentyl)-N'-(3-methoxyphenyl)oxamide.

Molecular Properties

Compound NameN-(5-hydroxypentyl)-N'-(3-methoxyphenyl)oxamide
PubChem CID108519583
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC NameN-(5-hydroxypentyl)-N'-(3-methoxyphenyl)oxamide
SMILESCOc1cccc(NC(=O)C(=O)NCCCCCO)c1
InChIInChI=1S/C14H20N2O4/c1-20-12-7-5-6-11(10-12)16-14(19)13(18)15-8-3-2-4-9-17/h5-7,10,17H,2-4,8-9H2,1H3,(H,15,18)(H,16,19)
InChIKeyFOQOHBZYWNXTSB-UHFFFAOYSA-N
XLogP0.91
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 50.91
H-Bond Donors ≤ 53
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-hydroxypropyl)-N'-(3-methoxyphenyl)oxamide
CID 2247264
2-[[2-(3-methoxyanilino)-2-oxoacetyl]amino]ethyl-dimethylazanium
CID 2268249
N-(6-hydroxyhexyl)-N'-phenyloxamide
CID 50850958
N-(cyanomethyl)-N'-(3-methoxyphenyl)oxamide
CID 43315934
N-(3,3-diethoxypropyl)-N'-(3-methoxyphenyl)oxamide
CID 172894059
N-(5-hydroxypentyl)-N'-(3-nitrophenyl)oxamide
CID 108513314
1-(3-methoxyphenyl)-3-nonylthiourea
CID 19651092
N'-(3,4-dimethoxyphenyl)-N-(3-hydroxypropyl)oxamide
CID 5210710
N-[2-(3-methoxyphenyl)ethyl]-N'-phenyloxamide
CID 44892117
N'-(3-bromophenyl)-N-(3-hydroxypropyl)oxamide
CID 568365
N'-(3-methoxyphenyl)-N-(2-morpholin-4-ium-4-ylethyl)oxamide
CID 7160825
N'-(3-methoxyphenyl)-N-[3-(4-morpholin-4-ylphenyl)propyl]oxamide
CID 16892181

Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxypentyl)-N'-(3-methoxyphenyl)oxamide?
The IUPAC name of N-(5-hydroxypentyl)-N'-(3-methoxyphenyl)oxamide (CID 108519583) is N-(5-hydroxypentyl)-N'-(3-methoxyphenyl)oxamide.
What is the SMILES notation for N-(5-hydroxypentyl)-N'-(3-methoxyphenyl)oxamide?
The canonical SMILES for N-(5-hydroxypentyl)-N'-(3-methoxyphenyl)oxamide is COc1cccc(NC(=O)C(=O)NCCCCCO)c1.
What is the InChIKey of N-(5-hydroxypentyl)-N'-(3-methoxyphenyl)oxamide?
The InChIKey is FOQOHBZYWNXTSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-20-12-7-5-6-11(10-12)16-14(19)13(18)15-8-3-2-4-9-17/h5-7,10,17H,2-4,8-9H2,1H3,(H,15,18)(H,16,19).
What are the key properties of N-(5-hydroxypentyl)-N'-(3-methoxyphenyl)oxamide?
N-(5-hydroxypentyl)-N'-(3-methoxyphenyl)oxamide has a molecular weight of 280.32 g/mol, XLogP of 0.91, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxypentyl)-N'-(3-methoxyphenyl)oxamide is sourced from PubChem (CID 108519583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).