N-(3-ethoxypropyl)-9H-xanthene-9-carboxamide

C19H21NO3 — CID 3151963

IUPACN-(3-ethoxypropyl)-9H-xanthene-9-carboxamide
SMILESCCOCCCNC(=O)C1c2ccccc2Oc2ccccc21
InChIInChI=1S/C19H21NO3/c1-2-22-13-7-12-20-19(21)18-14-8-3-5-10-16(14)23-17-11-6-4-9-15(17)18/h3-6,8-11,18H,2,7,12-13H2,1H3,(H,20,21)
InChIKeySJLIMSVIHFSASF-UHFFFAOYSA-N
MW311.38 g/mol
LogP3.47
Rot. Bonds6

About N-(3-ethoxypropyl)-9H-xanthene-9-carboxamide

N-(3-ethoxypropyl)-9H-xanthene-9-carboxamide (PubChem CID 3151963) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-9H-xanthene-9-carboxamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-9H-xanthene-9-carboxamide
PubChem CID3151963
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC NameN-(3-ethoxypropyl)-9H-xanthene-9-carboxamide
SMILESCCOCCCNC(=O)C1c2ccccc2Oc2ccccc21
InChIInChI=1S/C19H21NO3/c1-2-22-13-7-12-20-19(21)18-14-8-3-5-10-16(14)23-17-11-6-4-9-15(17)18/h3-6,8-11,18H,2,7,12-13H2,1H3,(H,20,21)
InChIKeySJLIMSVIHFSASF-UHFFFAOYSA-N
XLogP3.47
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-9H-xanthene-9-carboxamide?
The IUPAC name of N-(3-ethoxypropyl)-9H-xanthene-9-carboxamide (CID 3151963) is N-(3-ethoxypropyl)-9H-xanthene-9-carboxamide.
What is the SMILES notation for N-(3-ethoxypropyl)-9H-xanthene-9-carboxamide?
The canonical SMILES for N-(3-ethoxypropyl)-9H-xanthene-9-carboxamide is CCOCCCNC(=O)C1c2ccccc2Oc2ccccc21.
What is the InChIKey of N-(3-ethoxypropyl)-9H-xanthene-9-carboxamide?
The InChIKey is SJLIMSVIHFSASF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3/c1-2-22-13-7-12-20-19(21)18-14-8-3-5-10-16(14)23-17-11-6-4-9-15(17)18/h3-6,8-11,18H,2,7,12-13H2,1H3,(H,20,21).
What are the key properties of N-(3-ethoxypropyl)-9H-xanthene-9-carboxamide?
N-(3-ethoxypropyl)-9H-xanthene-9-carboxamide has a molecular weight of 311.38 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-9H-xanthene-9-carboxamide is sourced from PubChem (CID 3151963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).