2-(3-methylbutoxy)-N-(9H-xanthen-9-yl)propanamide

C21H25NO3 — CID 56547329

IUPAC2-(3-methylbutoxy)-N-(9H-xanthen-9-yl)propanamide
SMILESCC(C)CCOC(C)C(=O)NC1c2ccccc2Oc2ccccc21
InChIInChI=1S/C21H25NO3/c1-14(2)12-13-24-15(3)21(23)22-20-16-8-4-6-10-18(16)25-19-11-7-5-9-17(19)20/h4-11,14-15,20H,12-13H2,1-3H3,(H,22,23)
InChIKeyRIVOMHNHODMGQA-UHFFFAOYSA-N
MW339.44 g/mol
LogP4.45
Rot. Bonds6

About 2-(3-methylbutoxy)-N-(9H-xanthen-9-yl)propanamide

2-(3-methylbutoxy)-N-(9H-xanthen-9-yl)propanamide (PubChem CID 56547329) has the molecular formula C21H25NO3 and a molecular weight of 339.44 g/mol. Its IUPAC name is 2-(3-methylbutoxy)-N-(9H-xanthen-9-yl)propanamide.

Molecular Properties

Compound Name2-(3-methylbutoxy)-N-(9H-xanthen-9-yl)propanamide
PubChem CID56547329
Molecular FormulaC21H25NO3
Molecular Weight339.44 g/mol
Exact Mass339.18
IUPAC Name2-(3-methylbutoxy)-N-(9H-xanthen-9-yl)propanamide
SMILESCC(C)CCOC(C)C(=O)NC1c2ccccc2Oc2ccccc21
InChIInChI=1S/C21H25NO3/c1-14(2)12-13-24-15(3)21(23)22-20-16-8-4-6-10-18(16)25-19-11-7-5-9-17(19)20/h4-11,14-15,20H,12-13H2,1-3H3,(H,22,23)
InChIKeyRIVOMHNHODMGQA-UHFFFAOYSA-N
XLogP4.45
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbutoxy)-N-(9H-xanthen-9-yl)propanamide?
The IUPAC name of 2-(3-methylbutoxy)-N-(9H-xanthen-9-yl)propanamide (CID 56547329) is 2-(3-methylbutoxy)-N-(9H-xanthen-9-yl)propanamide.
What is the SMILES notation for 2-(3-methylbutoxy)-N-(9H-xanthen-9-yl)propanamide?
The canonical SMILES for 2-(3-methylbutoxy)-N-(9H-xanthen-9-yl)propanamide is CC(C)CCOC(C)C(=O)NC1c2ccccc2Oc2ccccc21.
What is the InChIKey of 2-(3-methylbutoxy)-N-(9H-xanthen-9-yl)propanamide?
The InChIKey is RIVOMHNHODMGQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO3/c1-14(2)12-13-24-15(3)21(23)22-20-16-8-4-6-10-18(16)25-19-11-7-5-9-17(19)20/h4-11,14-15,20H,12-13H2,1-3H3,(H,22,23).
What are the key properties of 2-(3-methylbutoxy)-N-(9H-xanthen-9-yl)propanamide?
2-(3-methylbutoxy)-N-(9H-xanthen-9-yl)propanamide has a molecular weight of 339.44 g/mol, XLogP of 4.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbutoxy)-N-(9H-xanthen-9-yl)propanamide is sourced from PubChem (CID 56547329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).