N-[2-(butylamino)-2-oxoethyl]-4-ethoxybenzamide

C15H22N2O3 — CID 34231237

IUPACN-[2-(butylamino)-2-oxoethyl]-4-ethoxybenzamide
SMILESCCCCNC(=O)CNC(=O)c1ccc(OCC)cc1
InChIInChI=1S/C15H22N2O3/c1-3-5-10-16-14(18)11-17-15(19)12-6-8-13(9-7-12)20-4-2/h6-9H,3-5,10-11H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyQAOCXLVIUZYOGX-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.73
Rot. Bonds8

About N-[2-(butylamino)-2-oxoethyl]-4-ethoxybenzamide

N-[2-(butylamino)-2-oxoethyl]-4-ethoxybenzamide (PubChem CID 34231237) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is N-[2-(butylamino)-2-oxoethyl]-4-ethoxybenzamide.

Molecular Properties

Compound NameN-[2-(butylamino)-2-oxoethyl]-4-ethoxybenzamide
PubChem CID34231237
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC NameN-[2-(butylamino)-2-oxoethyl]-4-ethoxybenzamide
SMILESCCCCNC(=O)CNC(=O)c1ccc(OCC)cc1
InChIInChI=1S/C15H22N2O3/c1-3-5-10-16-14(18)11-17-15(19)12-6-8-13(9-7-12)20-4-2/h6-9H,3-5,10-11H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyQAOCXLVIUZYOGX-UHFFFAOYSA-N
XLogP1.73
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-decyl-4-ethoxybenzamide
CID 4123784
4-ethoxy-N-[2-[2-(4-methylphenoxy)ethylamino]-2-oxoethyl]benzamide
CID 9366137
4-chloro-N-[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl]benzamide
CID 9022553
4-ethoxy-N-[2-(heptan-2-ylamino)-2-oxoethyl]benzamide
CID 46603352
4-ethoxy-N-(2-hydrazinyl-2-oxoethyl)benzamide
CID 17349908
N-butyl-4-[2-oxo-2-(pentylamino)ethoxy]benzamide
CID 4846679
[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl] 2-[(4-butoxybenzoyl)amino]acetate
CID 27928920
4-ethoxy-N-[2-[3-(4-methylpiperidin-1-yl)propylamino]-2-oxoethyl]benzamide
CID 35417368
N-[2-[2-[[2-(4-ethoxyphenyl)acetyl]amino]ethylamino]-2-oxoethyl]benzamide
CID 108539279
4-butoxy-N-[2-oxo-2-(2-phenylethylamino)ethyl]benzamide
CID 29263738
N-butyl-4-propoxybenzamide
CID 17142951
4-butoxy-N-[2-[(2Z)-2-[(4-ethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 6006672

Frequently Asked Questions

What is the IUPAC name of N-[2-(butylamino)-2-oxoethyl]-4-ethoxybenzamide?
The IUPAC name of N-[2-(butylamino)-2-oxoethyl]-4-ethoxybenzamide (CID 34231237) is N-[2-(butylamino)-2-oxoethyl]-4-ethoxybenzamide.
What is the SMILES notation for N-[2-(butylamino)-2-oxoethyl]-4-ethoxybenzamide?
The canonical SMILES for N-[2-(butylamino)-2-oxoethyl]-4-ethoxybenzamide is CCCCNC(=O)CNC(=O)c1ccc(OCC)cc1.
What is the InChIKey of N-[2-(butylamino)-2-oxoethyl]-4-ethoxybenzamide?
The InChIKey is QAOCXLVIUZYOGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-3-5-10-16-14(18)11-17-15(19)12-6-8-13(9-7-12)20-4-2/h6-9H,3-5,10-11H2,1-2H3,(H,16,18)(H,17,19).
What are the key properties of N-[2-(butylamino)-2-oxoethyl]-4-ethoxybenzamide?
N-[2-(butylamino)-2-oxoethyl]-4-ethoxybenzamide has a molecular weight of 278.35 g/mol, XLogP of 1.73, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(butylamino)-2-oxoethyl]-4-ethoxybenzamide is sourced from PubChem (CID 34231237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).