N'-[(2-methoxyphenyl)methyl]-N-pentyloxamide

C15H22N2O3 — CID 44902500

IUPACN'-[(2-methoxyphenyl)methyl]-N-pentyloxamide
SMILESCCCCCNC(=O)C(=O)NCc1ccccc1OC
InChIInChI=1S/C15H22N2O3/c1-3-4-7-10-16-14(18)15(19)17-11-12-8-5-6-9-13(12)20-2/h5-6,8-9H,3-4,7,10-11H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyNQEYPTIVDUZBDZ-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.62
Rot. Bonds7

About N'-[(2-methoxyphenyl)methyl]-N-pentyloxamide

N'-[(2-methoxyphenyl)methyl]-N-pentyloxamide (PubChem CID 44902500) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is N'-[(2-methoxyphenyl)methyl]-N-pentyloxamide.

Molecular Properties

Compound NameN'-[(2-methoxyphenyl)methyl]-N-pentyloxamide
PubChem CID44902500
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC NameN'-[(2-methoxyphenyl)methyl]-N-pentyloxamide
SMILESCCCCCNC(=O)C(=O)NCc1ccccc1OC
InChIInChI=1S/C15H22N2O3/c1-3-4-7-10-16-14(18)15(19)17-11-12-8-5-6-9-13(12)20-2/h5-6,8-9H,3-4,7,10-11H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyNQEYPTIVDUZBDZ-UHFFFAOYSA-N
XLogP1.62
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(5-hydroxypentyl)-N'-[(2-methoxyphenyl)methyl]oxamide
CID 108525840
1-hexyl-3-[(2-methoxyphenyl)methyl]urea
CID 30694177
N-(3-hydroxypropyl)-N'-[(2-methoxyphenyl)methyl]oxamide
CID 44999890
N-heptyl-2-(2-methoxyphenyl)acetamide
CID 3375995
1-[(2-methoxyphenyl)methyl]-3-propylurea
CID 94828368
N-[(2-methoxyphenyl)methyl]hexan-1-amine
CID 4716798
N'-[(2-methoxyphenyl)methyl]-N-(3-morpholin-4-ylpropyl)oxamide
CID 44902502
N'-[(3,4-dimethoxyphenyl)methyl]-N-pentyloxamide
CID 108985865
N-butyl-N'-[(2-methylphenyl)methyl]oxamide
CID 2174476
N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-[(2-methoxyphenyl)methyl]oxamide
CID 3120473
(Z)-N-[(2-methoxyphenyl)methyl]-2-methylpent-2-enamide
CID 47025986
N-butyl-N'-(2-methoxyphenyl)oxamide
CID 2247832

Frequently Asked Questions

What is the IUPAC name of N'-[(2-methoxyphenyl)methyl]-N-pentyloxamide?
The IUPAC name of N'-[(2-methoxyphenyl)methyl]-N-pentyloxamide (CID 44902500) is N'-[(2-methoxyphenyl)methyl]-N-pentyloxamide.
What is the SMILES notation for N'-[(2-methoxyphenyl)methyl]-N-pentyloxamide?
The canonical SMILES for N'-[(2-methoxyphenyl)methyl]-N-pentyloxamide is CCCCCNC(=O)C(=O)NCc1ccccc1OC.
What is the InChIKey of N'-[(2-methoxyphenyl)methyl]-N-pentyloxamide?
The InChIKey is NQEYPTIVDUZBDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-3-4-7-10-16-14(18)15(19)17-11-12-8-5-6-9-13(12)20-2/h5-6,8-9H,3-4,7,10-11H2,1-2H3,(H,16,18)(H,17,19).
What are the key properties of N'-[(2-methoxyphenyl)methyl]-N-pentyloxamide?
N'-[(2-methoxyphenyl)methyl]-N-pentyloxamide has a molecular weight of 278.35 g/mol, XLogP of 1.62, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2-methoxyphenyl)methyl]-N-pentyloxamide is sourced from PubChem (CID 44902500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).