N-[2-(butanoylamino)ethyl]-3,5-dimethoxybenzamide

C15H22N2O4 — CID 108571368

IUPACN-[2-(butanoylamino)ethyl]-3,5-dimethoxybenzamide
SMILESCCCC(=O)NCCNC(=O)c1cc(OC)cc(OC)c1
InChIInChI=1S/C15H22N2O4/c1-4-5-14(18)16-6-7-17-15(19)11-8-12(20-2)10-13(9-11)21-3/h8-10H,4-7H2,1-3H3,(H,16,18)(H,17,19)
InChIKeyAYCFEYGWPNNLNG-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.35
Rot. Bonds8

About N-[2-(butanoylamino)ethyl]-3,5-dimethoxybenzamide

N-[2-(butanoylamino)ethyl]-3,5-dimethoxybenzamide (PubChem CID 108571368) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is N-[2-(butanoylamino)ethyl]-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-[2-(butanoylamino)ethyl]-3,5-dimethoxybenzamide
PubChem CID108571368
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC NameN-[2-(butanoylamino)ethyl]-3,5-dimethoxybenzamide
SMILESCCCC(=O)NCCNC(=O)c1cc(OC)cc(OC)c1
InChIInChI=1S/C15H22N2O4/c1-4-5-14(18)16-6-7-17-15(19)11-8-12(20-2)10-13(9-11)21-3/h8-10H,4-7H2,1-3H3,(H,16,18)(H,17,19)
InChIKeyAYCFEYGWPNNLNG-UHFFFAOYSA-N
XLogP1.35
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3,5-dimethoxy-N-[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]benzamide
CID 18162820
N-[4-[(3,5-dimethoxybenzoyl)amino]butyl]-3,5-dimethoxybenzamide
CID 2933573
N-[2-[(3,5-dimethoxybenzoyl)amino]ethyl]-3,5-dihydroxybenzamide
CID 108539471
N-[2-(3-cyclohexylpropanoylamino)ethyl]-3,5-dimethoxybenzamide
CID 108539452
N-ethyl-3,5-dimethoxybenzamide
CID 4286127
3,5-dimethoxy-N-[2-(propan-2-ylamino)ethyl]benzamide
CID 62663294
1-N,3-N-bis(2-acetamidoethyl)-5-methoxybenzene-1,3-dicarboxamide
CID 170010863
N-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]-3,5-dimethoxybenzamide
CID 108538638
N-[2-[(4-bromobenzoyl)amino]ethyl]-3,5-dimethoxybenzamide
CID 108539326
N-(2-aminooxyethyl)-3,5-dimethoxybenzamide
CID 92931838
3,5-dimethoxy-N-[2-(methylsulfamoyl)ethyl]benzamide
CID 7619022
N-[2-[acetyl(propyl)amino]ethyl]-3,5-dimethoxybenzamide
CID 113051850

Frequently Asked Questions

What is the IUPAC name of N-[2-(butanoylamino)ethyl]-3,5-dimethoxybenzamide?
The IUPAC name of N-[2-(butanoylamino)ethyl]-3,5-dimethoxybenzamide (CID 108571368) is N-[2-(butanoylamino)ethyl]-3,5-dimethoxybenzamide.
What is the SMILES notation for N-[2-(butanoylamino)ethyl]-3,5-dimethoxybenzamide?
The canonical SMILES for N-[2-(butanoylamino)ethyl]-3,5-dimethoxybenzamide is CCCC(=O)NCCNC(=O)c1cc(OC)cc(OC)c1.
What is the InChIKey of N-[2-(butanoylamino)ethyl]-3,5-dimethoxybenzamide?
The InChIKey is AYCFEYGWPNNLNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-4-5-14(18)16-6-7-17-15(19)11-8-12(20-2)10-13(9-11)21-3/h8-10H,4-7H2,1-3H3,(H,16,18)(H,17,19).
What are the key properties of N-[2-(butanoylamino)ethyl]-3,5-dimethoxybenzamide?
N-[2-(butanoylamino)ethyl]-3,5-dimethoxybenzamide has a molecular weight of 294.35 g/mol, XLogP of 1.35, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(butanoylamino)ethyl]-3,5-dimethoxybenzamide is sourced from PubChem (CID 108571368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).