N-[2-(N-ethyl-3-methylanilino)ethyl]-5-(2-methyl-5-propan-2-ylphenoxy)furan-2-carboxamide

C26H32N2O3 — CID 21047341

IUPACN-[2-(N-ethyl-3-methylanilino)ethyl]-5-(2-methyl-5-propan-2-ylphenoxy)furan-2-carboxamide
SMILESCCN(CCNC(=O)c1ccc(Oc2cc(C(C)C)ccc2C)o1)c1cccc(C)c1
InChIInChI=1S/C26H32N2O3/c1-6-28(22-9-7-8-19(4)16-22)15-14-27-26(29)23-12-13-25(30-23)31-24-17-21(18(2)3)11-10-20(24)5/h7-13,16-18H,6,14-15H2,1-5H3,(H,27,29)
InChIKeyUBDIQCQYFBZJGO-UHFFFAOYSA-N
MW420.55 g/mol
LogP6.07
Rot. Bonds9

About N-[2-(N-ethyl-3-methylanilino)ethyl]-5-(2-methyl-5-propan-2-ylphenoxy)furan-2-carboxamide

N-[2-(N-ethyl-3-methylanilino)ethyl]-5-(2-methyl-5-propan-2-ylphenoxy)furan-2-carboxamide (PubChem CID 21047341) has the molecular formula C26H32N2O3 and a molecular weight of 420.55 g/mol. Its IUPAC name is N-[2-(N-ethyl-3-methylanilino)ethyl]-5-(2-methyl-5-propan-2-ylphenoxy)furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(N-ethyl-3-methylanilino)ethyl]-5-(2-methyl-5-propan-2-ylphenoxy)furan-2-carboxamide
PubChem CID21047341
Molecular FormulaC26H32N2O3
Molecular Weight420.55 g/mol
Exact Mass420.24
IUPAC NameN-[2-(N-ethyl-3-methylanilino)ethyl]-5-(2-methyl-5-propan-2-ylphenoxy)furan-2-carboxamide
SMILESCCN(CCNC(=O)c1ccc(Oc2cc(C(C)C)ccc2C)o1)c1cccc(C)c1
InChIInChI=1S/C26H32N2O3/c1-6-28(22-9-7-8-19(4)16-22)15-14-27-26(29)23-12-13-25(30-23)31-24-17-21(18(2)3)11-10-20(24)5/h7-13,16-18H,6,14-15H2,1-5H3,(H,27,29)
InChIKeyUBDIQCQYFBZJGO-UHFFFAOYSA-N
XLogP6.07
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.55
LogP ≤ 56.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-methoxyphenyl)ethyl]-5-(2-methyl-5-propan-2-ylphenoxy)furan-2-carboxamide
CID 21046251
N-[2-(3,5-dimethoxyphenyl)ethyl]-5-(2-methyl-5-propan-2-ylphenoxy)furan-2-carboxamide
CID 21047059
N-[2-(N-ethyl-3-methylanilino)ethyl]furan-2-carboxamide
CID 51193709
2-(4-aminophenyl)-N-[2-(N-ethyl-3-methylanilino)ethyl]acetamide
CID 119831753
N-[1-(2-methoxyphenyl)propan-2-yl]-N-methyl-5-(2-methyl-5-propan-2-ylphenoxy)furan-2-carboxamide
CID 21046250
N-[2-(N-ethyl-3-methylanilino)ethyl]-3,4,5-trimethoxybenzamide
CID 8909756
N-[2-(N-ethyl-3-methylanilino)ethyl]-2-methyl-3-(methylamino)propanamide
CID 119831783
N-[2-(N-ethyl-3-methylanilino)ethyl]-4,6,7-trimethoxy-1H-indole-2-carboxamide
CID 46438107
N-[2-(N-ethyl-3-methylanilino)ethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 51112446
N-[2-[2-(N-ethyl-3-methylanilino)ethylamino]-2-oxoethyl]furan-2-carboxamide
CID 5007053
4-amino-N-[2-(N-ethyl-3-methylanilino)ethyl]pentanamide
CID 120564241
3-amino-N-[2-(N-ethyl-3-methylanilino)ethyl]benzamide;dihydrochloride
CID 119831786

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-ethyl-3-methylanilino)ethyl]-5-(2-methyl-5-propan-2-ylphenoxy)furan-2-carboxamide?
The IUPAC name of N-[2-(N-ethyl-3-methylanilino)ethyl]-5-(2-methyl-5-propan-2-ylphenoxy)furan-2-carboxamide (CID 21047341) is N-[2-(N-ethyl-3-methylanilino)ethyl]-5-(2-methyl-5-propan-2-ylphenoxy)furan-2-carboxamide.
What is the SMILES notation for N-[2-(N-ethyl-3-methylanilino)ethyl]-5-(2-methyl-5-propan-2-ylphenoxy)furan-2-carboxamide?
The canonical SMILES for N-[2-(N-ethyl-3-methylanilino)ethyl]-5-(2-methyl-5-propan-2-ylphenoxy)furan-2-carboxamide is CCN(CCNC(=O)c1ccc(Oc2cc(C(C)C)ccc2C)o1)c1cccc(C)c1.
What is the InChIKey of N-[2-(N-ethyl-3-methylanilino)ethyl]-5-(2-methyl-5-propan-2-ylphenoxy)furan-2-carboxamide?
The InChIKey is UBDIQCQYFBZJGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O3/c1-6-28(22-9-7-8-19(4)16-22)15-14-27-26(29)23-12-13-25(30-23)31-24-17-21(18(2)3)11-10-20(24)5/h7-13,16-18H,6,14-15H2,1-5H3,(H,27,29).
What are the key properties of N-[2-(N-ethyl-3-methylanilino)ethyl]-5-(2-methyl-5-propan-2-ylphenoxy)furan-2-carboxamide?
N-[2-(N-ethyl-3-methylanilino)ethyl]-5-(2-methyl-5-propan-2-ylphenoxy)furan-2-carboxamide has a molecular weight of 420.55 g/mol, XLogP of 6.07, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N-ethyl-3-methylanilino)ethyl]-5-(2-methyl-5-propan-2-ylphenoxy)furan-2-carboxamide is sourced from PubChem (CID 21047341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).