N-[2-(4-ethoxyphenyl)ethyl]-5-[(4-methylpiperazin-1-yl)methyl]furan-2-carboxamide

C21H29N3O3 — CID 74230966

IUPACN-[2-(4-ethoxyphenyl)ethyl]-5-[(4-methylpiperazin-1-yl)methyl]furan-2-carboxamide
SMILESCCOc1ccc(CCNC(=O)c2ccc(CN3CCN(C)CC3)o2)cc1
InChIInChI=1S/C21H29N3O3/c1-3-26-18-6-4-17(5-7-18)10-11-22-21(25)20-9-8-19(27-20)16-24-14-12-23(2)13-15-24/h4-9H,3,10-16H2,1-2H3,(H,22,25)
InChIKeyXXNMEOZLUBYHJF-UHFFFAOYSA-N
MW371.48 g/mol
LogP2.40
Rot. Bonds8

About N-[2-(4-ethoxyphenyl)ethyl]-5-[(4-methylpiperazin-1-yl)methyl]furan-2-carboxamide

N-[2-(4-ethoxyphenyl)ethyl]-5-[(4-methylpiperazin-1-yl)methyl]furan-2-carboxamide (PubChem CID 74230966) has the molecular formula C21H29N3O3 and a molecular weight of 371.48 g/mol. Its IUPAC name is N-[2-(4-ethoxyphenyl)ethyl]-5-[(4-methylpiperazin-1-yl)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-ethoxyphenyl)ethyl]-5-[(4-methylpiperazin-1-yl)methyl]furan-2-carboxamide
PubChem CID74230966
Molecular FormulaC21H29N3O3
Molecular Weight371.48 g/mol
Exact Mass371.22
IUPAC NameN-[2-(4-ethoxyphenyl)ethyl]-5-[(4-methylpiperazin-1-yl)methyl]furan-2-carboxamide
SMILESCCOc1ccc(CCNC(=O)c2ccc(CN3CCN(C)CC3)o2)cc1
InChIInChI=1S/C21H29N3O3/c1-3-26-18-6-4-17(5-7-18)10-11-22-21(25)20-9-8-19(27-20)16-24-14-12-23(2)13-15-24/h4-9H,3,10-16H2,1-2H3,(H,22,25)
InChIKeyXXNMEOZLUBYHJF-UHFFFAOYSA-N
XLogP2.40
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(4-hydroxyphenyl)propyl]-5-[(4-methylpiperazin-1-yl)methyl]furan-2-carboxamide
CID 74230046
N-[2-(4-ethoxyphenyl)ethyl]-5-(morpholin-4-ylmethyl)-1,2-oxazole-3-carboxamide
CID 20950937
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
CID 19414041
N-hexyl-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
CID 19414016
N-ethyl-5-(piperidin-1-ylmethyl)furan-2-carboxamide
CID 19416150
5-[(4-propylpiperazin-1-yl)methyl]furan-2-carbohydrazide
CID 55214583
5-[(4-methylpiperidin-1-yl)methyl]-N-(2-pyridin-2-ylethyl)furan-2-carboxamide
CID 42850852
N-[2-(4-ethoxyphenyl)ethyl]benzamide
CID 110788107
5-[(4-fluorophenoxy)methyl]-N-[2-(4-methoxyphenyl)ethyl]furan-2-carboxamide
CID 55344956
methyl 5-[[4-[(5-methoxycarbonylfuran-2-yl)methyl]piperazin-1-yl]methyl]furan-2-carboxylate
CID 652979
5-[(4-benzylpiperidin-1-yl)methyl]-N-propylfuran-2-carboxamide
CID 42850909
N-[2-(4-ethyl-1,3-thiazol-2-yl)ethyl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
CID 118769180

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethoxyphenyl)ethyl]-5-[(4-methylpiperazin-1-yl)methyl]furan-2-carboxamide?
The IUPAC name of N-[2-(4-ethoxyphenyl)ethyl]-5-[(4-methylpiperazin-1-yl)methyl]furan-2-carboxamide (CID 74230966) is N-[2-(4-ethoxyphenyl)ethyl]-5-[(4-methylpiperazin-1-yl)methyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-(4-ethoxyphenyl)ethyl]-5-[(4-methylpiperazin-1-yl)methyl]furan-2-carboxamide?
The canonical SMILES for N-[2-(4-ethoxyphenyl)ethyl]-5-[(4-methylpiperazin-1-yl)methyl]furan-2-carboxamide is CCOc1ccc(CCNC(=O)c2ccc(CN3CCN(C)CC3)o2)cc1.
What is the InChIKey of N-[2-(4-ethoxyphenyl)ethyl]-5-[(4-methylpiperazin-1-yl)methyl]furan-2-carboxamide?
The InChIKey is XXNMEOZLUBYHJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O3/c1-3-26-18-6-4-17(5-7-18)10-11-22-21(25)20-9-8-19(27-20)16-24-14-12-23(2)13-15-24/h4-9H,3,10-16H2,1-2H3,(H,22,25).
What are the key properties of N-[2-(4-ethoxyphenyl)ethyl]-5-[(4-methylpiperazin-1-yl)methyl]furan-2-carboxamide?
N-[2-(4-ethoxyphenyl)ethyl]-5-[(4-methylpiperazin-1-yl)methyl]furan-2-carboxamide has a molecular weight of 371.48 g/mol, XLogP of 2.40, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethoxyphenyl)ethyl]-5-[(4-methylpiperazin-1-yl)methyl]furan-2-carboxamide is sourced from PubChem (CID 74230966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).