5-[(5-tert-butyl-2-methylphenyl)methyl]-N-[(2-chloro-6-phenoxyphenyl)methyl]furan-2-carboxamide

C30H30ClNO3 — CID 21047287

IUPAC5-[(5-tert-butyl-2-methylphenyl)methyl]-N-[(2-chloro-6-phenoxyphenyl)methyl]furan-2-carboxamide
SMILESCc1ccc(C(C)(C)C)cc1Cc1ccc(C(=O)NCc2c(Cl)cccc2Oc2ccccc2)o1
InChIInChI=1S/C30H30ClNO3/c1-20-13-14-22(30(2,3)4)17-21(20)18-24-15-16-28(35-24)29(33)32-19-25-26(31)11-8-12-27(25)34-23-9-6-5-7-10-23/h5-17H,18-19H2,1-4H3,(H,32,33)
InChIKeyAPFNVSGDIAQMDX-UHFFFAOYSA-N
MW488.03 g/mol
LogP7.85
Rot. Bonds7

About 5-[(5-tert-butyl-2-methylphenyl)methyl]-N-[(2-chloro-6-phenoxyphenyl)methyl]furan-2-carboxamide

5-[(5-tert-butyl-2-methylphenyl)methyl]-N-[(2-chloro-6-phenoxyphenyl)methyl]furan-2-carboxamide (PubChem CID 21047287) has the molecular formula C30H30ClNO3 and a molecular weight of 488.03 g/mol. Its IUPAC name is 5-[(5-tert-butyl-2-methylphenyl)methyl]-N-[(2-chloro-6-phenoxyphenyl)methyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-[(5-tert-butyl-2-methylphenyl)methyl]-N-[(2-chloro-6-phenoxyphenyl)methyl]furan-2-carboxamide
PubChem CID21047287
Molecular FormulaC30H30ClNO3
Molecular Weight488.03 g/mol
Exact Mass487.19
IUPAC Name5-[(5-tert-butyl-2-methylphenyl)methyl]-N-[(2-chloro-6-phenoxyphenyl)methyl]furan-2-carboxamide
SMILESCc1ccc(C(C)(C)C)cc1Cc1ccc(C(=O)NCc2c(Cl)cccc2Oc2ccccc2)o1
InChIInChI=1S/C30H30ClNO3/c1-20-13-14-22(30(2,3)4)17-21(20)18-24-15-16-28(35-24)29(33)32-19-25-26(31)11-8-12-27(25)34-23-9-6-5-7-10-23/h5-17H,18-19H2,1-4H3,(H,32,33)
InChIKeyAPFNVSGDIAQMDX-UHFFFAOYSA-N
XLogP7.85
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.03
LogP ≤ 57.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-[(5-tert-butyl-2-methylphenyl)methyl]-N-[(2-chloro-6-phenoxyphenyl)methyl]furan-2-carboxamide with MolForge

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Related Compounds

N-[(2-chloro-6-phenoxyphenyl)methyl]-5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]furan-2-carboxamide
CID 21047279
ethyl (2S)-2-[[5-[(5-tert-butyl-2-methylphenyl)methyl]furan-2-carbonyl]amino]-2-phenylacetate;methane
CID 158873821
methyl (2R)-2-[[5-[(5-tert-butyl-2-methylphenyl)methyl]furan-2-carbonyl]amino]-2-phenylacetate
CID 58696995
5-(5-tert-butyl-2-methylphenyl)sulfanyl-N-[2-(2-phenoxyphenyl)ethyl]furan-2-carboxamide
CID 21046176
5-[(2,3,4,5,6-pentamethylphenyl)methyl]-N-[2-(2-phenoxyphenyl)ethyl]furan-2-carboxamide
CID 21045885
5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]-N-[2-(2-phenoxyphenyl)ethyl]furan-2-carboxamide
CID 21045748
N-[2-(2,6-dichlorophenyl)ethyl]-5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]furan-2-carboxamide
CID 21046912
N-[(2,6-dimethoxyphenyl)methyl]-5-[(2,4,6-trimethylphenyl)methyl]furan-2-carboxamide
CID 21047231
N-[(2-chlorophenyl)methyl]-5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]furan-2-carboxamide
CID 21047293
N-[(2,6-dimethoxyphenyl)methyl]-5-[(2,4,6-trimethoxyphenyl)methyl]furan-2-carboxamide
CID 21047230
5-[[2-methoxy-5-(2-methylbutan-2-yl)phenyl]methyl]-N-[2-(2-methoxyphenyl)ethyl]furan-2-carboxamide
CID 21046209
methyl 2-[[5-[(5-tert-butyl-2-methylphenyl)methyl]furan-2-carbonyl]amino]-4-methylsulfanylbutanoate
CID 21046594

Frequently Asked Questions

What is the IUPAC name of 5-[(5-tert-butyl-2-methylphenyl)methyl]-N-[(2-chloro-6-phenoxyphenyl)methyl]furan-2-carboxamide?
The IUPAC name of 5-[(5-tert-butyl-2-methylphenyl)methyl]-N-[(2-chloro-6-phenoxyphenyl)methyl]furan-2-carboxamide (CID 21047287) is 5-[(5-tert-butyl-2-methylphenyl)methyl]-N-[(2-chloro-6-phenoxyphenyl)methyl]furan-2-carboxamide.
What is the SMILES notation for 5-[(5-tert-butyl-2-methylphenyl)methyl]-N-[(2-chloro-6-phenoxyphenyl)methyl]furan-2-carboxamide?
The canonical SMILES for 5-[(5-tert-butyl-2-methylphenyl)methyl]-N-[(2-chloro-6-phenoxyphenyl)methyl]furan-2-carboxamide is Cc1ccc(C(C)(C)C)cc1Cc1ccc(C(=O)NCc2c(Cl)cccc2Oc2ccccc2)o1.
What is the InChIKey of 5-[(5-tert-butyl-2-methylphenyl)methyl]-N-[(2-chloro-6-phenoxyphenyl)methyl]furan-2-carboxamide?
The InChIKey is APFNVSGDIAQMDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30ClNO3/c1-20-13-14-22(30(2,3)4)17-21(20)18-24-15-16-28(35-24)29(33)32-19-25-26(31)11-8-12-27(25)34-23-9-6-5-7-10-23/h5-17H,18-19H2,1-4H3,(H,32,33).
What are the key properties of 5-[(5-tert-butyl-2-methylphenyl)methyl]-N-[(2-chloro-6-phenoxyphenyl)methyl]furan-2-carboxamide?
5-[(5-tert-butyl-2-methylphenyl)methyl]-N-[(2-chloro-6-phenoxyphenyl)methyl]furan-2-carboxamide has a molecular weight of 488.03 g/mol, XLogP of 7.85, 7 rotatable bonds, 1 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-[(2-chloro-6-phenoxyphenyl)methyl]furan-2-carboxamide is sourced from PubChem (CID 21047287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).