2-methoxy-N-(2-methoxyethyl)-5-(3-oxobutyl)benzamide

C15H21NO4 — CID 174285617

IUPAC2-methoxy-N-(2-methoxyethyl)-5-(3-oxobutyl)benzamide
SMILESCOCCNC(=O)c1cc(CCC(C)=O)ccc1OC
InChIInChI=1S/C15H21NO4/c1-11(17)4-5-12-6-7-14(20-3)13(10-12)15(18)16-8-9-19-2/h6-7,10H,4-5,8-9H2,1-3H3,(H,16,18)
InChIKeyTUBMHHNIRQOKNV-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.59
Rot. Bonds8

About 2-methoxy-N-(2-methoxyethyl)-5-(3-oxobutyl)benzamide

2-methoxy-N-(2-methoxyethyl)-5-(3-oxobutyl)benzamide (PubChem CID 174285617) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-methoxy-N-(2-methoxyethyl)-5-(3-oxobutyl)benzamide.

Molecular Properties

Compound Name2-methoxy-N-(2-methoxyethyl)-5-(3-oxobutyl)benzamide
PubChem CID174285617
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name2-methoxy-N-(2-methoxyethyl)-5-(3-oxobutyl)benzamide
SMILESCOCCNC(=O)c1cc(CCC(C)=O)ccc1OC
InChIInChI=1S/C15H21NO4/c1-11(17)4-5-12-6-7-14(20-3)13(10-12)15(18)16-8-9-19-2/h6-7,10H,4-5,8-9H2,1-3H3,(H,16,18)
InChIKeyTUBMHHNIRQOKNV-UHFFFAOYSA-N
XLogP1.59
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(2-methoxyethyl)oxamide
CID 2250640
2,5-dimethoxy-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 18189798
3-methoxy-N-(2-methoxyethyl)naphthalene-2-carboxamide
CID 26500862
1-[3-(3,4-dimethoxyphenyl)propyl]-3-(2-methoxyethyl)urea
CID 48559736
5-chloro-N-[2-(4-chlorophenyl)ethyl]-2-methoxybenzamide
CID 9113269
5-fluoro-N-[2-(4-fluorophenyl)ethyl]-2-methoxybenzamide
CID 31069458
1-N-(1,3-benzodioxol-5-ylmethyl)-4-methoxy-3-N-(2-methoxyethyl)benzene-1,3-dicarboxamide
CID 10110663
5-chloro-2-methoxy-N-[2-(2-methoxyethylamino)ethyl]benzamide
CID 82994768
2-N-[2-(3,4-dimethoxyphenyl)ethyl]-6-N-(2-methoxyethyl)pyridine-2,6-dicarboxamide
CID 109095683
N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-2,5-dimethoxybenzamide
CID 164627851
5-chloro-2-methoxy-N-[2-[3-(4-methylphenyl)propanoylamino]ethyl]benzamide
CID 108540869
5-bromo-2-methoxy-N-(2-phenylethyl)benzamide
CID 17094208

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(2-methoxyethyl)-5-(3-oxobutyl)benzamide?
The IUPAC name of 2-methoxy-N-(2-methoxyethyl)-5-(3-oxobutyl)benzamide (CID 174285617) is 2-methoxy-N-(2-methoxyethyl)-5-(3-oxobutyl)benzamide.
What is the SMILES notation for 2-methoxy-N-(2-methoxyethyl)-5-(3-oxobutyl)benzamide?
The canonical SMILES for 2-methoxy-N-(2-methoxyethyl)-5-(3-oxobutyl)benzamide is COCCNC(=O)c1cc(CCC(C)=O)ccc1OC.
What is the InChIKey of 2-methoxy-N-(2-methoxyethyl)-5-(3-oxobutyl)benzamide?
The InChIKey is TUBMHHNIRQOKNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-11(17)4-5-12-6-7-14(20-3)13(10-12)15(18)16-8-9-19-2/h6-7,10H,4-5,8-9H2,1-3H3,(H,16,18).
What are the key properties of 2-methoxy-N-(2-methoxyethyl)-5-(3-oxobutyl)benzamide?
2-methoxy-N-(2-methoxyethyl)-5-(3-oxobutyl)benzamide has a molecular weight of 279.34 g/mol, XLogP of 1.59, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(2-methoxyethyl)-5-(3-oxobutyl)benzamide is sourced from PubChem (CID 174285617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).