5-[(5-tert-butyl-2-methylphenyl)methyl]-N-ethyl-N-(pyridin-4-ylmethyl)furan-2-carboxamide

C25H30N2O2 — CID 21048374

IUPAC5-[(5-tert-butyl-2-methylphenyl)methyl]-N-ethyl-N-(pyridin-4-ylmethyl)furan-2-carboxamide
SMILESCCN(Cc1ccncc1)C(=O)c1ccc(Cc2cc(C(C)(C)C)ccc2C)o1
InChIInChI=1S/C25H30N2O2/c1-6-27(17-19-11-13-26-14-12-19)24(28)23-10-9-22(29-23)16-20-15-21(25(3,4)5)8-7-18(20)2/h7-15H,6,16-17H2,1-5H3
InChIKeySSWKKCPGFSCAOV-UHFFFAOYSA-N
MW390.53 g/mol
LogP5.53
Rot. Bonds6

About 5-[(5-tert-butyl-2-methylphenyl)methyl]-N-ethyl-N-(pyridin-4-ylmethyl)furan-2-carboxamide

5-[(5-tert-butyl-2-methylphenyl)methyl]-N-ethyl-N-(pyridin-4-ylmethyl)furan-2-carboxamide (PubChem CID 21048374) has the molecular formula C25H30N2O2 and a molecular weight of 390.53 g/mol. Its IUPAC name is 5-[(5-tert-butyl-2-methylphenyl)methyl]-N-ethyl-N-(pyridin-4-ylmethyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[(5-tert-butyl-2-methylphenyl)methyl]-N-ethyl-N-(pyridin-4-ylmethyl)furan-2-carboxamide
PubChem CID21048374
Molecular FormulaC25H30N2O2
Molecular Weight390.53 g/mol
Exact Mass390.23
IUPAC Name5-[(5-tert-butyl-2-methylphenyl)methyl]-N-ethyl-N-(pyridin-4-ylmethyl)furan-2-carboxamide
SMILESCCN(Cc1ccncc1)C(=O)c1ccc(Cc2cc(C(C)(C)C)ccc2C)o1
InChIInChI=1S/C25H30N2O2/c1-6-27(17-19-11-13-26-14-12-19)24(28)23-10-9-22(29-23)16-20-15-21(25(3,4)5)8-7-18(20)2/h7-15H,6,16-17H2,1-5H3
InChIKeySSWKKCPGFSCAOV-UHFFFAOYSA-N
XLogP5.53
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.53
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(2,5-dimethoxyphenyl)methyl]-N-ethyl-N-(pyridin-4-ylmethyl)furan-2-carboxamide
CID 21046065
5-(2,6-dimethylphenyl)sulfanyl-N-ethyl-N-(pyridin-4-ylmethyl)furan-2-carboxamide
CID 21046146
N-ethyl-4-(2-methylbutan-2-yl)-N-(pyridin-4-ylmethyl)benzamide
CID 130315749
[5-[(5-tert-butyl-2-methylphenyl)methyl]furan-2-yl]-[4-(2,6-dimethylphenyl)piperazin-1-yl]methanone
CID 21045611
ethyl (2S)-2-[[5-[(5-tert-butyl-2-methylphenyl)methyl]furan-2-carbonyl]amino]-2-phenylacetate;methane
CID 158873821
N-ethyl-5-(methoxymethyl)-N-[(2-methylphenyl)methyl]furan-2-carboxamide
CID 78852716
methyl (2R)-2-[[5-[(5-tert-butyl-2-methylphenyl)methyl]furan-2-carbonyl]amino]-2-phenylacetate
CID 58696995
methyl 2-[[5-[(5-tert-butyl-2-methylphenyl)methyl]furan-2-carbonyl]amino]-4-methylsulfanylbutanoate
CID 21046594
[5-[(5-tert-butyl-2-methylphenyl)methyl]furan-2-yl]-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 21046324
5-[(5-tert-butyl-2-methylphenyl)methyl]-N-[(2-chloro-6-phenoxyphenyl)methyl]furan-2-carboxamide
CID 21047287
ethyl 2-[benzyl-[5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]furan-2-carbonyl]amino]acetate
CID 21046510
N-[(4-nitrophenyl)methyl]-5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]-N-propylfuran-2-carboxamide
CID 21048049

Frequently Asked Questions

What is the IUPAC name of 5-[(5-tert-butyl-2-methylphenyl)methyl]-N-ethyl-N-(pyridin-4-ylmethyl)furan-2-carboxamide?
The IUPAC name of 5-[(5-tert-butyl-2-methylphenyl)methyl]-N-ethyl-N-(pyridin-4-ylmethyl)furan-2-carboxamide (CID 21048374) is 5-[(5-tert-butyl-2-methylphenyl)methyl]-N-ethyl-N-(pyridin-4-ylmethyl)furan-2-carboxamide.
What is the SMILES notation for 5-[(5-tert-butyl-2-methylphenyl)methyl]-N-ethyl-N-(pyridin-4-ylmethyl)furan-2-carboxamide?
The canonical SMILES for 5-[(5-tert-butyl-2-methylphenyl)methyl]-N-ethyl-N-(pyridin-4-ylmethyl)furan-2-carboxamide is CCN(Cc1ccncc1)C(=O)c1ccc(Cc2cc(C(C)(C)C)ccc2C)o1.
What is the InChIKey of 5-[(5-tert-butyl-2-methylphenyl)methyl]-N-ethyl-N-(pyridin-4-ylmethyl)furan-2-carboxamide?
The InChIKey is SSWKKCPGFSCAOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O2/c1-6-27(17-19-11-13-26-14-12-19)24(28)23-10-9-22(29-23)16-20-15-21(25(3,4)5)8-7-18(20)2/h7-15H,6,16-17H2,1-5H3.
What are the key properties of 5-[(5-tert-butyl-2-methylphenyl)methyl]-N-ethyl-N-(pyridin-4-ylmethyl)furan-2-carboxamide?
5-[(5-tert-butyl-2-methylphenyl)methyl]-N-ethyl-N-(pyridin-4-ylmethyl)furan-2-carboxamide has a molecular weight of 390.53 g/mol, XLogP of 5.53, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-tert-butyl-2-methylphenyl)methyl]-N-ethyl-N-(pyridin-4-ylmethyl)furan-2-carboxamide is sourced from PubChem (CID 21048374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).