N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-9H-xanthene-9-carboxamide

C26H26N2O5 — CID 55781233

IUPACN-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-9H-xanthene-9-carboxamide
SMILESCCNC(=O)COc1ccc(CNC(=O)C2c3ccccc3Oc3ccccc32)cc1OC
InChIInChI=1S/C26H26N2O5/c1-3-27-24(29)16-32-22-13-12-17(14-23(22)31-2)15-28-26(30)25-18-8-4-6-10-20(18)33-21-11-7-5-9-19(21)25/h4-14,25H,3,15-16H2,1-2H3,(H,27,29)(H,28,30)
InChIKeyOBFSGQXPVIYPOB-UHFFFAOYSA-N
MW446.50 g/mol
LogP3.76
Rot. Bonds8

About N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-9H-xanthene-9-carboxamide

N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-9H-xanthene-9-carboxamide (PubChem CID 55781233) has the molecular formula C26H26N2O5 and a molecular weight of 446.50 g/mol. Its IUPAC name is N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-9H-xanthene-9-carboxamide.

Molecular Properties

Compound NameN-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-9H-xanthene-9-carboxamide
PubChem CID55781233
Molecular FormulaC26H26N2O5
Molecular Weight446.50 g/mol
Exact Mass446.18
IUPAC NameN-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-9H-xanthene-9-carboxamide
SMILESCCNC(=O)COc1ccc(CNC(=O)C2c3ccccc3Oc3ccccc32)cc1OC
InChIInChI=1S/C26H26N2O5/c1-3-27-24(29)16-32-22-13-12-17(14-23(22)31-2)15-28-26(30)25-18-8-4-6-10-20(18)33-21-11-7-5-9-19(21)25/h4-14,25H,3,15-16H2,1-2H3,(H,27,29)(H,28,30)
InChIKeyOBFSGQXPVIYPOB-UHFFFAOYSA-N
XLogP3.76
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.50
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-9H-xanthene-9-carboxamide
CID 9193847
3-amino-N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-3-phenylpropanamide
CID 119949555
N-[(3,4-dimethoxyphenyl)methyl]-2-(2-methoxyphenoxy)acetamide
CID 7928589
N-[(4-methoxyphenyl)methyl]-9H-xanthene-9-carboxamide
CID 669611
N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 55745665
N-ethyl-2-[2-methoxy-4-[[(N'-methylcarbamimidoyl)amino]methyl]phenoxy]acetamide;hydroiodide
CID 110915872
2-[4-[[[(3R)-3,4-dihydro-2H-chromen-3-yl]amino]methyl]-2-methoxyphenoxy]-N-ethylacetamide
CID 124683552
2-[4-[[[(2R)-butan-2-yl]amino]methyl]-2-methoxyphenoxy]-N-ethylacetamide
CID 94458976
N-[[3-[(9H-xanthene-9-carbonylamino)methyl]phenyl]methyl]-9H-xanthene-9-carboxamide
CID 5112519
N-ethyl-2-[2-methoxy-4-[[(2-methyl-1-phenylpropyl)amino]methyl]phenoxy]acetamide
CID 86908275
3-amino-N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-2-methyl-3-phenylpropanamide
CID 119712627
N-ethyl-2-[2-methoxy-4-[[[(2R)-pentan-2-yl]amino]methyl]phenoxy]acetamide
CID 95901020

Frequently Asked Questions

What is the IUPAC name of N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-9H-xanthene-9-carboxamide?
The IUPAC name of N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-9H-xanthene-9-carboxamide (CID 55781233) is N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-9H-xanthene-9-carboxamide.
What is the SMILES notation for N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-9H-xanthene-9-carboxamide?
The canonical SMILES for N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-9H-xanthene-9-carboxamide is CCNC(=O)COc1ccc(CNC(=O)C2c3ccccc3Oc3ccccc32)cc1OC.
What is the InChIKey of N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-9H-xanthene-9-carboxamide?
The InChIKey is OBFSGQXPVIYPOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O5/c1-3-27-24(29)16-32-22-13-12-17(14-23(22)31-2)15-28-26(30)25-18-8-4-6-10-20(18)33-21-11-7-5-9-19(21)25/h4-14,25H,3,15-16H2,1-2H3,(H,27,29)(H,28,30).
What are the key properties of N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-9H-xanthene-9-carboxamide?
N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-9H-xanthene-9-carboxamide has a molecular weight of 446.50 g/mol, XLogP of 3.76, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-9H-xanthene-9-carboxamide is sourced from PubChem (CID 55781233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).