N-(5-hydroxypentyl)-N'-[(2-methoxyphenyl)methyl]oxamide

C15H22N2O4 — CID 108525840

IUPACN-(5-hydroxypentyl)-N'-[(2-methoxyphenyl)methyl]oxamide
SMILESCOc1ccccc1CNC(=O)C(=O)NCCCCCO
InChIInChI=1S/C15H22N2O4/c1-21-13-8-4-3-7-12(13)11-17-15(20)14(19)16-9-5-2-6-10-18/h3-4,7-8,18H,2,5-6,9-11H2,1H3,(H,16,19)(H,17,20)
InChIKeyDVFLMSDMFBUFLN-UHFFFAOYSA-N
MW294.35 g/mol
LogP0.59
Rot. Bonds8

About N-(5-hydroxypentyl)-N'-[(2-methoxyphenyl)methyl]oxamide

N-(5-hydroxypentyl)-N'-[(2-methoxyphenyl)methyl]oxamide (PubChem CID 108525840) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is N-(5-hydroxypentyl)-N'-[(2-methoxyphenyl)methyl]oxamide.

Molecular Properties

Compound NameN-(5-hydroxypentyl)-N'-[(2-methoxyphenyl)methyl]oxamide
PubChem CID108525840
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC NameN-(5-hydroxypentyl)-N'-[(2-methoxyphenyl)methyl]oxamide
SMILESCOc1ccccc1CNC(=O)C(=O)NCCCCCO
InChIInChI=1S/C15H22N2O4/c1-21-13-8-4-3-7-12(13)11-17-15(20)14(19)16-9-5-2-6-10-18/h3-4,7-8,18H,2,5-6,9-11H2,1H3,(H,16,19)(H,17,20)
InChIKeyDVFLMSDMFBUFLN-UHFFFAOYSA-N
XLogP0.59
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 50.59
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'-[(2-methoxyphenyl)methyl]oxamide
CID 44999890
N'-[(2-methoxyphenyl)methyl]-N-pentyloxamide
CID 44902500
N-(4-hydroxybutyl)-3-(2-methoxyphenyl)propanamide
CID 106843312
1-hexyl-3-[(2-methoxyphenyl)methyl]urea
CID 30694177
N-(5-hydroxypentyl)-2-(2-methoxyphenyl)propanamide
CID 20516010
N'-[(2-methoxyphenyl)methyl]-N-(3-morpholin-4-ylpropyl)oxamide
CID 44902502
N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-[(2-methoxyphenyl)methyl]oxamide
CID 3120473
N-heptyl-2-(2-methoxyphenyl)acetamide
CID 3375995
N-[(4-fluorophenyl)methyl]-N'-[(2-methoxyphenyl)methyl]oxamide
CID 44996870
N'-[(2-fluorophenyl)methyl]-N-[2-(2-methoxyphenyl)ethyl]oxamide
CID 108984898
N'-(2-amino-2-sulfanylideneethyl)-N-[(2-methoxyphenyl)methyl]oxamide
CID 43316152
N'-cyclopropyl-N-[(2-methoxyphenyl)methyl]oxamide
CID 578186

Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxypentyl)-N'-[(2-methoxyphenyl)methyl]oxamide?
The IUPAC name of N-(5-hydroxypentyl)-N'-[(2-methoxyphenyl)methyl]oxamide (CID 108525840) is N-(5-hydroxypentyl)-N'-[(2-methoxyphenyl)methyl]oxamide.
What is the SMILES notation for N-(5-hydroxypentyl)-N'-[(2-methoxyphenyl)methyl]oxamide?
The canonical SMILES for N-(5-hydroxypentyl)-N'-[(2-methoxyphenyl)methyl]oxamide is COc1ccccc1CNC(=O)C(=O)NCCCCCO.
What is the InChIKey of N-(5-hydroxypentyl)-N'-[(2-methoxyphenyl)methyl]oxamide?
The InChIKey is DVFLMSDMFBUFLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-21-13-8-4-3-7-12(13)11-17-15(20)14(19)16-9-5-2-6-10-18/h3-4,7-8,18H,2,5-6,9-11H2,1H3,(H,16,19)(H,17,20).
What are the key properties of N-(5-hydroxypentyl)-N'-[(2-methoxyphenyl)methyl]oxamide?
N-(5-hydroxypentyl)-N'-[(2-methoxyphenyl)methyl]oxamide has a molecular weight of 294.35 g/mol, XLogP of 0.59, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxypentyl)-N'-[(2-methoxyphenyl)methyl]oxamide is sourced from PubChem (CID 108525840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).