N-[2-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methylamino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide

C21H27N3O6 — CID 55912633

IUPACN-[2-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methylamino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide
SMILESCCNC(=O)COc1ccc(CNC(=O)CNC(=O)c2cc(C)oc2C)cc1OC
InChIInChI=1S/C21H27N3O6/c1-5-22-20(26)12-29-17-7-6-15(9-18(17)28-4)10-23-19(25)11-24-21(27)16-8-13(2)30-14(16)3/h6-9H,5,10-12H2,1-4H3,(H,22,26)(H,23,25)(H,24,27)
InChIKeyFRNZZJFJNDNAQK-UHFFFAOYSA-N
MW417.46 g/mol
LogP1.47
Rot. Bonds10

About N-[2-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methylamino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide

N-[2-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methylamino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide (PubChem CID 55912633) has the molecular formula C21H27N3O6 and a molecular weight of 417.46 g/mol. Its IUPAC name is N-[2-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methylamino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[2-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methylamino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide
PubChem CID55912633
Molecular FormulaC21H27N3O6
Molecular Weight417.46 g/mol
Exact Mass417.19
IUPAC NameN-[2-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methylamino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide
SMILESCCNC(=O)COc1ccc(CNC(=O)CNC(=O)c2cc(C)oc2C)cc1OC
InChIInChI=1S/C21H27N3O6/c1-5-22-20(26)12-29-17-7-6-15(9-18(17)28-4)10-23-19(25)11-24-21(27)16-8-13(2)30-14(16)3/h6-9H,5,10-12H2,1-4H3,(H,22,26)(H,23,25)(H,24,27)
InChIKeyFRNZZJFJNDNAQK-UHFFFAOYSA-N
XLogP1.47
TPSA118.90 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.46
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[2-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methylamino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide with MolForge

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Related Compounds

4-bromo-N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-2,5-dimethylfuran-3-carboxamide
CID 55745941
N-[2-[(4-ethoxy-3-methoxyphenyl)methylamino]-2-oxoethyl]-2-methylbenzamide
CID 46434205
N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 55745756
ethyl N-[3-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methylamino]-3-oxopropyl]carbamate
CID 55745890
N-[(3,4-dimethoxyphenyl)methyl]-2-(2-methoxyphenoxy)acetamide
CID 7928589
N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-3-(2,3,4-trimethoxyphenyl)propanamide
CID 55881030
N-ethyl-2-[4-[[[N-ethyl-N'-[(3-methylphenyl)methyl]carbamimidoyl]amino]methyl]-2-methoxyphenoxy]acetamide
CID 111900067
N-ethyl-2-[2-methoxy-4-[[(N'-methylcarbamimidoyl)amino]methyl]phenoxy]acetamide;hydroiodide
CID 110915872
2-[4-[[[(2R)-butan-2-yl]amino]methyl]-2-methoxyphenoxy]-N-ethylacetamide
CID 94458976
N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-9H-xanthene-9-carboxamide
CID 55781233
4-ethoxy-N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-5-methoxy-2-nitrobenzamide
CID 55746037
N'-[2-(3,4-dimethoxyphenyl)acetyl]-2,5-dimethylfuran-3-carbohydrazide
CID 7808964

Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methylamino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide?
The IUPAC name of N-[2-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methylamino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide (CID 55912633) is N-[2-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methylamino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide.
What is the SMILES notation for N-[2-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methylamino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide?
The canonical SMILES for N-[2-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methylamino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide is CCNC(=O)COc1ccc(CNC(=O)CNC(=O)c2cc(C)oc2C)cc1OC.
What is the InChIKey of N-[2-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methylamino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide?
The InChIKey is FRNZZJFJNDNAQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O6/c1-5-22-20(26)12-29-17-7-6-15(9-18(17)28-4)10-23-19(25)11-24-21(27)16-8-13(2)30-14(16)3/h6-9H,5,10-12H2,1-4H3,(H,22,26)(H,23,25)(H,24,27).
What are the key properties of N-[2-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methylamino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide?
N-[2-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methylamino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide has a molecular weight of 417.46 g/mol, XLogP of 1.47, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methylamino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide is sourced from PubChem (CID 55912633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).