N-[(2,3-dimethylphenyl)methyl]-5-[(2,3,4,5,6-pentamethylphenyl)methyl]furan-2-carboxamide

C26H31NO2 — CID 21047104

IUPACN-[(2,3-dimethylphenyl)methyl]-5-[(2,3,4,5,6-pentamethylphenyl)methyl]furan-2-carboxamide
SMILESCc1cccc(CNC(=O)c2ccc(Cc3c(C)c(C)c(C)c(C)c3C)o2)c1C
InChIInChI=1S/C26H31NO2/c1-15-9-8-10-22(16(15)2)14-27-26(28)25-12-11-23(29-25)13-24-20(6)18(4)17(3)19(5)21(24)7/h8-12H,13-14H2,1-7H3,(H,27,28)
InChIKeyYUGLENGZGSUCIW-UHFFFAOYSA-N
MW389.54 g/mol
LogP5.96
Rot. Bonds5

About N-[(2,3-dimethylphenyl)methyl]-5-[(2,3,4,5,6-pentamethylphenyl)methyl]furan-2-carboxamide

N-[(2,3-dimethylphenyl)methyl]-5-[(2,3,4,5,6-pentamethylphenyl)methyl]furan-2-carboxamide (PubChem CID 21047104) has the molecular formula C26H31NO2 and a molecular weight of 389.54 g/mol. Its IUPAC name is N-[(2,3-dimethylphenyl)methyl]-5-[(2,3,4,5,6-pentamethylphenyl)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(2,3-dimethylphenyl)methyl]-5-[(2,3,4,5,6-pentamethylphenyl)methyl]furan-2-carboxamide
PubChem CID21047104
Molecular FormulaC26H31NO2
Molecular Weight389.54 g/mol
Exact Mass389.24
IUPAC NameN-[(2,3-dimethylphenyl)methyl]-5-[(2,3,4,5,6-pentamethylphenyl)methyl]furan-2-carboxamide
SMILESCc1cccc(CNC(=O)c2ccc(Cc3c(C)c(C)c(C)c(C)c3C)o2)c1C
InChIInChI=1S/C26H31NO2/c1-15-9-8-10-22(16(15)2)14-27-26(28)25-12-11-23(29-25)13-24-20(6)18(4)17(3)19(5)21(24)7/h8-12H,13-14H2,1-7H3,(H,27,28)
InChIKeyYUGLENGZGSUCIW-UHFFFAOYSA-N
XLogP5.96
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.54
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-hydroxy-6-methylphenyl)-5-[(2,3,4,5,6-pentamethylphenyl)methyl]furan-2-carboxamide
CID 21047425
5-[(2,3,4,5,6-pentamethylphenyl)methyl]-N-[2-(2-phenoxyphenyl)ethyl]furan-2-carboxamide
CID 21045885
N-[(3-amino-2-methylphenyl)methyl]-5-bromofuran-2-carboxamide
CID 103109774
N-[(2,6-dimethoxyphenyl)methyl]-5-[(2,4,6-trimethylphenyl)methyl]furan-2-carboxamide
CID 21047231
5-[(2,6-dimethylphenyl)sulfanylmethyl]-N-(naphthalen-1-ylmethyl)furan-2-carboxamide
CID 21046086
5-bromo-N-[(2-methylphenyl)methyl]furan-2-carboxamide
CID 27839121
5-[(2,6-dimethylphenyl)sulfanylmethyl]-N-[(2-methoxyphenyl)methyl]furan-2-carboxamide
CID 21046099
N-(naphthalen-1-ylmethyl)-5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]furan-2-carboxamide
CID 21046852
N-[(2,5-dimethoxyphenyl)methyl]-5-[(2,4,6-trimethylphenyl)methyl]furan-2-carboxamide
CID 21047187
N-(7-hydroxynaphthalen-1-yl)-5-[(2,3,4,5,6-pentamethylphenyl)methyl]furan-2-carboxamide
CID 21048235
5-[(4-fluorophenoxy)methyl]-N-[(2-methylphenyl)methyl]furan-2-carboxamide
CID 39731102
N-(3-ethyl-6-methyl-2-pyridinyl)-5-[(2,3,4,5,6-pentamethylphenyl)methyl]furan-2-carboxamide
CID 21047673

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dimethylphenyl)methyl]-5-[(2,3,4,5,6-pentamethylphenyl)methyl]furan-2-carboxamide?
The IUPAC name of N-[(2,3-dimethylphenyl)methyl]-5-[(2,3,4,5,6-pentamethylphenyl)methyl]furan-2-carboxamide (CID 21047104) is N-[(2,3-dimethylphenyl)methyl]-5-[(2,3,4,5,6-pentamethylphenyl)methyl]furan-2-carboxamide.
What is the SMILES notation for N-[(2,3-dimethylphenyl)methyl]-5-[(2,3,4,5,6-pentamethylphenyl)methyl]furan-2-carboxamide?
The canonical SMILES for N-[(2,3-dimethylphenyl)methyl]-5-[(2,3,4,5,6-pentamethylphenyl)methyl]furan-2-carboxamide is Cc1cccc(CNC(=O)c2ccc(Cc3c(C)c(C)c(C)c(C)c3C)o2)c1C.
What is the InChIKey of N-[(2,3-dimethylphenyl)methyl]-5-[(2,3,4,5,6-pentamethylphenyl)methyl]furan-2-carboxamide?
The InChIKey is YUGLENGZGSUCIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31NO2/c1-15-9-8-10-22(16(15)2)14-27-26(28)25-12-11-23(29-25)13-24-20(6)18(4)17(3)19(5)21(24)7/h8-12H,13-14H2,1-7H3,(H,27,28).
What are the key properties of N-[(2,3-dimethylphenyl)methyl]-5-[(2,3,4,5,6-pentamethylphenyl)methyl]furan-2-carboxamide?
N-[(2,3-dimethylphenyl)methyl]-5-[(2,3,4,5,6-pentamethylphenyl)methyl]furan-2-carboxamide has a molecular weight of 389.54 g/mol, XLogP of 5.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dimethylphenyl)methyl]-5-[(2,3,4,5,6-pentamethylphenyl)methyl]furan-2-carboxamide is sourced from PubChem (CID 21047104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).