3-(butanoylamino)-N-methyl-N-[3-(oxolan-2-yl)propyl]benzamide

C19H28N2O3 — CID 47000341

IUPAC3-(butanoylamino)-N-methyl-N-[3-(oxolan-2-yl)propyl]benzamide
SMILESCCCC(=O)Nc1cccc(C(=O)N(C)CCCC2CCCO2)c1
InChIInChI=1S/C19H28N2O3/c1-3-7-18(22)20-16-9-4-8-15(14-16)19(23)21(2)12-5-10-17-11-6-13-24-17/h4,8-9,14,17H,3,5-7,10-13H2,1-2H3,(H,20,22)
InChIKeyJRATZKNMXGLELK-UHFFFAOYSA-N
MW332.44 g/mol
LogP3.46
Rot. Bonds8

About 3-(butanoylamino)-N-methyl-N-[3-(oxolan-2-yl)propyl]benzamide

3-(butanoylamino)-N-methyl-N-[3-(oxolan-2-yl)propyl]benzamide (PubChem CID 47000341) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is 3-(butanoylamino)-N-methyl-N-[3-(oxolan-2-yl)propyl]benzamide.

Molecular Properties

Compound Name3-(butanoylamino)-N-methyl-N-[3-(oxolan-2-yl)propyl]benzamide
PubChem CID47000341
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Name3-(butanoylamino)-N-methyl-N-[3-(oxolan-2-yl)propyl]benzamide
SMILESCCCC(=O)Nc1cccc(C(=O)N(C)CCCC2CCCO2)c1
InChIInChI=1S/C19H28N2O3/c1-3-7-18(22)20-16-9-4-8-15(14-16)19(23)21(2)12-5-10-17-11-6-13-24-17/h4,8-9,14,17H,3,5-7,10-13H2,1-2H3,(H,20,22)
InChIKeyJRATZKNMXGLELK-UHFFFAOYSA-N
XLogP3.46
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(butanoylamino)-N-methyl-N-[3-(oxolan-2-yl)propyl]benzamide?
The IUPAC name of 3-(butanoylamino)-N-methyl-N-[3-(oxolan-2-yl)propyl]benzamide (CID 47000341) is 3-(butanoylamino)-N-methyl-N-[3-(oxolan-2-yl)propyl]benzamide.
What is the SMILES notation for 3-(butanoylamino)-N-methyl-N-[3-(oxolan-2-yl)propyl]benzamide?
The canonical SMILES for 3-(butanoylamino)-N-methyl-N-[3-(oxolan-2-yl)propyl]benzamide is CCCC(=O)Nc1cccc(C(=O)N(C)CCCC2CCCO2)c1.
What is the InChIKey of 3-(butanoylamino)-N-methyl-N-[3-(oxolan-2-yl)propyl]benzamide?
The InChIKey is JRATZKNMXGLELK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-3-7-18(22)20-16-9-4-8-15(14-16)19(23)21(2)12-5-10-17-11-6-13-24-17/h4,8-9,14,17H,3,5-7,10-13H2,1-2H3,(H,20,22).
What are the key properties of 3-(butanoylamino)-N-methyl-N-[3-(oxolan-2-yl)propyl]benzamide?
3-(butanoylamino)-N-methyl-N-[3-(oxolan-2-yl)propyl]benzamide has a molecular weight of 332.44 g/mol, XLogP of 3.46, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(butanoylamino)-N-methyl-N-[3-(oxolan-2-yl)propyl]benzamide is sourced from PubChem (CID 47000341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).