N-(1-methoxypropan-2-yl)-9H-xanthene-9-carboxamide

C18H19NO3 — CID 2905426

IUPACN-(1-methoxypropan-2-yl)-9H-xanthene-9-carboxamide
SMILESCOCC(C)NC(=O)C1c2ccccc2Oc2ccccc21
InChIInChI=1S/C18H19NO3/c1-12(11-21-2)19-18(20)17-13-7-3-5-9-15(13)22-16-10-6-4-8-14(16)17/h3-10,12,17H,11H2,1-2H3,(H,19,20)
InChIKeyWQXAKWGCQICCTF-UHFFFAOYSA-N
MW297.35 g/mol
LogP3.08
Rot. Bonds4

About N-(1-methoxypropan-2-yl)-9H-xanthene-9-carboxamide

N-(1-methoxypropan-2-yl)-9H-xanthene-9-carboxamide (PubChem CID 2905426) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is N-(1-methoxypropan-2-yl)-9H-xanthene-9-carboxamide.

Molecular Properties

Compound NameN-(1-methoxypropan-2-yl)-9H-xanthene-9-carboxamide
PubChem CID2905426
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC NameN-(1-methoxypropan-2-yl)-9H-xanthene-9-carboxamide
SMILESCOCC(C)NC(=O)C1c2ccccc2Oc2ccccc21
InChIInChI=1S/C18H19NO3/c1-12(11-21-2)19-18(20)17-13-7-3-5-9-15(13)22-16-10-6-4-8-14(16)17/h3-10,12,17H,11H2,1-2H3,(H,19,20)
InChIKeyWQXAKWGCQICCTF-UHFFFAOYSA-N
XLogP3.08
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-methoxypropan-2-yl)-9H-xanthene-9-carboxamide?
The IUPAC name of N-(1-methoxypropan-2-yl)-9H-xanthene-9-carboxamide (CID 2905426) is N-(1-methoxypropan-2-yl)-9H-xanthene-9-carboxamide.
What is the SMILES notation for N-(1-methoxypropan-2-yl)-9H-xanthene-9-carboxamide?
The canonical SMILES for N-(1-methoxypropan-2-yl)-9H-xanthene-9-carboxamide is COCC(C)NC(=O)C1c2ccccc2Oc2ccccc21.
What is the InChIKey of N-(1-methoxypropan-2-yl)-9H-xanthene-9-carboxamide?
The InChIKey is WQXAKWGCQICCTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3/c1-12(11-21-2)19-18(20)17-13-7-3-5-9-15(13)22-16-10-6-4-8-14(16)17/h3-10,12,17H,11H2,1-2H3,(H,19,20).
What are the key properties of N-(1-methoxypropan-2-yl)-9H-xanthene-9-carboxamide?
N-(1-methoxypropan-2-yl)-9H-xanthene-9-carboxamide has a molecular weight of 297.35 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxypropan-2-yl)-9H-xanthene-9-carboxamide is sourced from PubChem (CID 2905426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).