N-[2-[2-(4-tert-butyl-2,6-dimethylphenyl)ethylamino]-2-oxoethyl]furan-2-carboxamide

C21H28N2O3 — CID 9162978

IUPACN-[2-[2-(4-tert-butyl-2,6-dimethylphenyl)ethylamino]-2-oxoethyl]furan-2-carboxamide
SMILESCc1cc(C(C)(C)C)cc(C)c1CCNC(=O)CNC(=O)c1ccco1
InChIInChI=1S/C21H28N2O3/c1-14-11-16(21(3,4)5)12-15(2)17(14)8-9-22-19(24)13-23-20(25)18-7-6-10-26-18/h6-7,10-12H,8-9,13H2,1-5H3,(H,22,24)(H,23,25)
InChIKeyPGTLDBVHKLGPFK-UHFFFAOYSA-N
MW356.47 g/mol
LogP3.28
Rot. Bonds6

About N-[2-[2-(4-tert-butyl-2,6-dimethylphenyl)ethylamino]-2-oxoethyl]furan-2-carboxamide

N-[2-[2-(4-tert-butyl-2,6-dimethylphenyl)ethylamino]-2-oxoethyl]furan-2-carboxamide (PubChem CID 9162978) has the molecular formula C21H28N2O3 and a molecular weight of 356.47 g/mol. Its IUPAC name is N-[2-[2-(4-tert-butyl-2,6-dimethylphenyl)ethylamino]-2-oxoethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[2-(4-tert-butyl-2,6-dimethylphenyl)ethylamino]-2-oxoethyl]furan-2-carboxamide
PubChem CID9162978
Molecular FormulaC21H28N2O3
Molecular Weight356.47 g/mol
Exact Mass356.21
IUPAC NameN-[2-[2-(4-tert-butyl-2,6-dimethylphenyl)ethylamino]-2-oxoethyl]furan-2-carboxamide
SMILESCc1cc(C(C)(C)C)cc(C)c1CCNC(=O)CNC(=O)c1ccco1
InChIInChI=1S/C21H28N2O3/c1-14-11-16(21(3,4)5)12-15(2)17(14)8-9-22-19(24)13-23-20(25)18-7-6-10-26-18/h6-7,10-12H,8-9,13H2,1-5H3,(H,22,24)(H,23,25)
InChIKeyPGTLDBVHKLGPFK-UHFFFAOYSA-N
XLogP3.28
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[2-[2-(furan-2-carbonylamino)ethylamino]-2-oxoethyl]carbamate
CID 108537102
N-[2-oxo-2-(3-phenylpropylamino)ethyl]furan-2-carboxamide
CID 2524355
N-[2-(4-methyl-3-sulfamoylanilino)-2-oxoethyl]furan-2-carboxamide
CID 9141000
N-[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 7535615
N-[2-[2-(1,3-benzodioxol-5-yl)ethylamino]-2-oxoethyl]furan-2-carboxamide
CID 17463093
N-[2-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-oxoethyl]furan-2-carboxamide
CID 43390516
N-[2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]-2-oxoethyl]furan-2-carboxamide
CID 103711886
N-[2-(3,4-dimethylphenyl)-2-oxoethyl]furan-2-carboxamide
CID 82120675
4-[[2-(furan-2-carbonylamino)acetyl]amino]-3-hydroxy-3-methylbutanoic acid
CID 66003494
7-[[2-(furan-2-carbonylamino)acetyl]amino]heptanoic acid
CID 43358988
N-[2-oxo-2-[[2-oxo-2-(4-propylanilino)ethyl]amino]ethyl]furan-2-carboxamide
CID 9225396
tert-butyl 2-(furan-2-carbonylamino)acetate
CID 78966369

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-tert-butyl-2,6-dimethylphenyl)ethylamino]-2-oxoethyl]furan-2-carboxamide?
The IUPAC name of N-[2-[2-(4-tert-butyl-2,6-dimethylphenyl)ethylamino]-2-oxoethyl]furan-2-carboxamide (CID 9162978) is N-[2-[2-(4-tert-butyl-2,6-dimethylphenyl)ethylamino]-2-oxoethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[2-(4-tert-butyl-2,6-dimethylphenyl)ethylamino]-2-oxoethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[2-(4-tert-butyl-2,6-dimethylphenyl)ethylamino]-2-oxoethyl]furan-2-carboxamide is Cc1cc(C(C)(C)C)cc(C)c1CCNC(=O)CNC(=O)c1ccco1.
What is the InChIKey of N-[2-[2-(4-tert-butyl-2,6-dimethylphenyl)ethylamino]-2-oxoethyl]furan-2-carboxamide?
The InChIKey is PGTLDBVHKLGPFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3/c1-14-11-16(21(3,4)5)12-15(2)17(14)8-9-22-19(24)13-23-20(25)18-7-6-10-26-18/h6-7,10-12H,8-9,13H2,1-5H3,(H,22,24)(H,23,25).
What are the key properties of N-[2-[2-(4-tert-butyl-2,6-dimethylphenyl)ethylamino]-2-oxoethyl]furan-2-carboxamide?
N-[2-[2-(4-tert-butyl-2,6-dimethylphenyl)ethylamino]-2-oxoethyl]furan-2-carboxamide has a molecular weight of 356.47 g/mol, XLogP of 3.28, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-tert-butyl-2,6-dimethylphenyl)ethylamino]-2-oxoethyl]furan-2-carboxamide is sourced from PubChem (CID 9162978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).