N-butan-2-yl-3,4,5-triethoxybenzamide

C17H27NO4 — CID 2874218

IUPACN-butan-2-yl-3,4,5-triethoxybenzamide
SMILESCCOc1cc(C(=O)NC(C)CC)cc(OCC)c1OCC
InChIInChI=1S/C17H27NO4/c1-6-12(5)18-17(19)13-10-14(20-7-2)16(22-9-4)15(11-13)21-8-3/h10-12H,6-9H2,1-5H3,(H,18,19)
InChIKeyIYXYXRLHXPTLFG-UHFFFAOYSA-N
MW309.41 g/mol
LogP3.41
Rot. Bonds9

About N-butan-2-yl-3,4,5-triethoxybenzamide

N-butan-2-yl-3,4,5-triethoxybenzamide (PubChem CID 2874218) has the molecular formula C17H27NO4 and a molecular weight of 309.41 g/mol. Its IUPAC name is N-butan-2-yl-3,4,5-triethoxybenzamide.

Molecular Properties

Compound NameN-butan-2-yl-3,4,5-triethoxybenzamide
PubChem CID2874218
Molecular FormulaC17H27NO4
Molecular Weight309.41 g/mol
Exact Mass309.19
IUPAC NameN-butan-2-yl-3,4,5-triethoxybenzamide
SMILESCCOc1cc(C(=O)NC(C)CC)cc(OCC)c1OCC
InChIInChI=1S/C17H27NO4/c1-6-12(5)18-17(19)13-10-14(20-7-2)16(22-9-4)15(11-13)21-8-3/h10-12H,6-9H2,1-5H3,(H,18,19)
InChIKeyIYXYXRLHXPTLFG-UHFFFAOYSA-N
XLogP3.41
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3,4,5-triethoxybenzamide?
The IUPAC name of N-butan-2-yl-3,4,5-triethoxybenzamide (CID 2874218) is N-butan-2-yl-3,4,5-triethoxybenzamide.
What is the SMILES notation for N-butan-2-yl-3,4,5-triethoxybenzamide?
The canonical SMILES for N-butan-2-yl-3,4,5-triethoxybenzamide is CCOc1cc(C(=O)NC(C)CC)cc(OCC)c1OCC.
What is the InChIKey of N-butan-2-yl-3,4,5-triethoxybenzamide?
The InChIKey is IYXYXRLHXPTLFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO4/c1-6-12(5)18-17(19)13-10-14(20-7-2)16(22-9-4)15(11-13)21-8-3/h10-12H,6-9H2,1-5H3,(H,18,19).
What are the key properties of N-butan-2-yl-3,4,5-triethoxybenzamide?
N-butan-2-yl-3,4,5-triethoxybenzamide has a molecular weight of 309.41 g/mol, XLogP of 3.41, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3,4,5-triethoxybenzamide is sourced from PubChem (CID 2874218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).