N-(1-hydroxypropan-2-yl)-6-methoxy-9-oxoxanthene-2-carboxamide

C18H17NO5 — CID 139246796

IUPACN-(1-hydroxypropan-2-yl)-6-methoxy-9-oxoxanthene-2-carboxamide
SMILESCOc1ccc2c(=O)c3cc(C(=O)NC(C)CO)ccc3oc2c1
InChIInChI=1S/C18H17NO5/c1-10(9-20)19-18(22)11-3-6-15-14(7-11)17(21)13-5-4-12(23-2)8-16(13)24-15/h3-8,10,20H,9H2,1-2H3,(H,19,22)
InChIKeyUVHSORWWVKMGSK-UHFFFAOYSA-N
MW327.34 g/mol
LogP2.07
Rot. Bonds4

About N-(1-hydroxypropan-2-yl)-6-methoxy-9-oxoxanthene-2-carboxamide

N-(1-hydroxypropan-2-yl)-6-methoxy-9-oxoxanthene-2-carboxamide (PubChem CID 139246796) has the molecular formula C18H17NO5 and a molecular weight of 327.34 g/mol. Its IUPAC name is N-(1-hydroxypropan-2-yl)-6-methoxy-9-oxoxanthene-2-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxypropan-2-yl)-6-methoxy-9-oxoxanthene-2-carboxamide
PubChem CID139246796
Molecular FormulaC18H17NO5
Molecular Weight327.34 g/mol
Exact Mass327.11
IUPAC NameN-(1-hydroxypropan-2-yl)-6-methoxy-9-oxoxanthene-2-carboxamide
SMILESCOc1ccc2c(=O)c3cc(C(=O)NC(C)CO)ccc3oc2c1
InChIInChI=1S/C18H17NO5/c1-10(9-20)19-18(22)11-3-6-15-14(7-11)17(21)13-5-4-12(23-2)8-16(13)24-15/h3-8,10,20H,9H2,1-2H3,(H,19,22)
InChIKeyUVHSORWWVKMGSK-UHFFFAOYSA-N
XLogP2.07
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

ethane-1,2-diol;2-methoxyxanthen-9-one
CID 126598327
methyl 2-[4-[[(2R)-1-hydroxypropan-2-yl]carbamoyl]phenyl]-5-methoxybenzoate
CID 126427299
methyl 2-[4-(1-hydroxypropan-2-ylcarbamoyl)phenyl]-5-methoxybenzoate
CID 118765531
7-methoxy-4-oxo-N-propan-2-ylchromene-2-carboxamide
CID 51998193
4-butoxy-N-(1-hydroxypropan-2-yl)-3-methoxybenzamide
CID 78856853
3-hydroxy-N-(1-hydroxypropan-2-yl)-4-methoxybenzamide
CID 79732831
2-amino-N-[(2R)-1-hydroxypropan-2-yl]-4-methoxybenzamide
CID 107218626
4-fluoro-N-[(2R)-1-hydroxypropan-2-yl]-3-methoxybenzamide
CID 81284566
methyl 4-(1-hydroxypropan-2-ylcarbamoyl)benzoate
CID 78857241
N-(4-hydroxybutan-2-yl)-3-methoxybenzamide
CID 81041104
2-[(5-methoxy-2-methyl-1-benzofuran-3-carbonyl)amino]propanoic acid
CID 82043387
(7-methoxy-2-oxochromen-4-yl)methyl 2-methylpropanoate
CID 7782409

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxypropan-2-yl)-6-methoxy-9-oxoxanthene-2-carboxamide?
The IUPAC name of N-(1-hydroxypropan-2-yl)-6-methoxy-9-oxoxanthene-2-carboxamide (CID 139246796) is N-(1-hydroxypropan-2-yl)-6-methoxy-9-oxoxanthene-2-carboxamide.
What is the SMILES notation for N-(1-hydroxypropan-2-yl)-6-methoxy-9-oxoxanthene-2-carboxamide?
The canonical SMILES for N-(1-hydroxypropan-2-yl)-6-methoxy-9-oxoxanthene-2-carboxamide is COc1ccc2c(=O)c3cc(C(=O)NC(C)CO)ccc3oc2c1.
What is the InChIKey of N-(1-hydroxypropan-2-yl)-6-methoxy-9-oxoxanthene-2-carboxamide?
The InChIKey is UVHSORWWVKMGSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO5/c1-10(9-20)19-18(22)11-3-6-15-14(7-11)17(21)13-5-4-12(23-2)8-16(13)24-15/h3-8,10,20H,9H2,1-2H3,(H,19,22).
What are the key properties of N-(1-hydroxypropan-2-yl)-6-methoxy-9-oxoxanthene-2-carboxamide?
N-(1-hydroxypropan-2-yl)-6-methoxy-9-oxoxanthene-2-carboxamide has a molecular weight of 327.34 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxypropan-2-yl)-6-methoxy-9-oxoxanthene-2-carboxamide is sourced from PubChem (CID 139246796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).