N-[2-(2-methoxyethylamino)-2-oxoethyl]-9H-xanthene-9-carboxamide

C19H20N2O4 — CID 9246931

IUPACN-[2-(2-methoxyethylamino)-2-oxoethyl]-9H-xanthene-9-carboxamide
SMILESCOCCNC(=O)CNC(=O)C1c2ccccc2Oc2ccccc21
InChIInChI=1S/C19H20N2O4/c1-24-11-10-20-17(22)12-21-19(23)18-13-6-2-4-8-15(13)25-16-9-5-3-7-14(16)18/h2-9,18H,10-12H2,1H3,(H,20,22)(H,21,23)
InChIKeyQWKYPEDMBMNTGD-UHFFFAOYSA-N
MW340.38 g/mol
LogP1.80
Rot. Bonds6

About N-[2-(2-methoxyethylamino)-2-oxoethyl]-9H-xanthene-9-carboxamide

N-[2-(2-methoxyethylamino)-2-oxoethyl]-9H-xanthene-9-carboxamide (PubChem CID 9246931) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is N-[2-(2-methoxyethylamino)-2-oxoethyl]-9H-xanthene-9-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methoxyethylamino)-2-oxoethyl]-9H-xanthene-9-carboxamide
PubChem CID9246931
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC NameN-[2-(2-methoxyethylamino)-2-oxoethyl]-9H-xanthene-9-carboxamide
SMILESCOCCNC(=O)CNC(=O)C1c2ccccc2Oc2ccccc21
InChIInChI=1S/C19H20N2O4/c1-24-11-10-20-17(22)12-21-19(23)18-13-6-2-4-8-15(13)25-16-9-5-3-7-14(16)18/h2-9,18H,10-12H2,1H3,(H,20,22)(H,21,23)
InChIKeyQWKYPEDMBMNTGD-UHFFFAOYSA-N
XLogP1.80
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-methoxyphenyl)ethyl]-9H-xanthene-9-carboxamide
CID 8911207
N-[2-(2-fluorophenoxy)ethyl]-9H-xanthene-9-carboxamide
CID 7927585
N-[(4-methoxyphenyl)methyl]-9H-xanthene-9-carboxamide
CID 669611
N-[[3-[(9H-xanthene-9-carbonylamino)methyl]phenyl]methyl]-9H-xanthene-9-carboxamide
CID 5112519
(3S)-N-[2-(2-methoxyethylamino)-2-oxoethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 104896839
N-[2-(6-phenylpyridazin-3-yl)oxyethyl]-9H-xanthene-9-carboxamide
CID 22585389
2-methoxy-N-[2-(2-methoxyethylamino)-2-oxoethyl]benzamide
CID 47100986
methyl N-[4-(9H-xanthene-9-carbonylamino)phenyl]carbamate
CID 71893111
2-iodo-N-[2-(2-methoxyethylamino)-2-oxoethyl]benzamide
CID 35811048
2-(benzylamino)-N-(2-methoxyethyl)acetamide
CID 54813572
N-[(2S)-2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-9H-xanthene-9-carboxamide
CID 100728569
2-(3,4-dihydro-2H-chromen-4-ylamino)-N-(3-methoxypropyl)acetamide
CID 60693734

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyethylamino)-2-oxoethyl]-9H-xanthene-9-carboxamide?
The IUPAC name of N-[2-(2-methoxyethylamino)-2-oxoethyl]-9H-xanthene-9-carboxamide (CID 9246931) is N-[2-(2-methoxyethylamino)-2-oxoethyl]-9H-xanthene-9-carboxamide.
What is the SMILES notation for N-[2-(2-methoxyethylamino)-2-oxoethyl]-9H-xanthene-9-carboxamide?
The canonical SMILES for N-[2-(2-methoxyethylamino)-2-oxoethyl]-9H-xanthene-9-carboxamide is COCCNC(=O)CNC(=O)C1c2ccccc2Oc2ccccc21.
What is the InChIKey of N-[2-(2-methoxyethylamino)-2-oxoethyl]-9H-xanthene-9-carboxamide?
The InChIKey is QWKYPEDMBMNTGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-24-11-10-20-17(22)12-21-19(23)18-13-6-2-4-8-15(13)25-16-9-5-3-7-14(16)18/h2-9,18H,10-12H2,1H3,(H,20,22)(H,21,23).
What are the key properties of N-[2-(2-methoxyethylamino)-2-oxoethyl]-9H-xanthene-9-carboxamide?
N-[2-(2-methoxyethylamino)-2-oxoethyl]-9H-xanthene-9-carboxamide has a molecular weight of 340.38 g/mol, XLogP of 1.80, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyethylamino)-2-oxoethyl]-9H-xanthene-9-carboxamide is sourced from PubChem (CID 9246931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).