[5-[(3,4-dimethylphenyl)carbamoyl]furan-2-yl]methyl-[(4-methylphenyl)methyl]-propan-2-ylazanium

C25H31N2O2+ — CID 7499284

IUPAC[5-[(3,4-dimethylphenyl)carbamoyl]furan-2-yl]methyl-[(4-methylphenyl)methyl]-propan-2-ylazanium
SMILESCc1ccc(C[NH+](Cc2ccc(C(=O)Nc3ccc(C)c(C)c3)o2)C(C)C)cc1
InChIInChI=1S/C25H30N2O2/c1-17(2)27(15-21-9-6-18(3)7-10-21)16-23-12-13-24(29-23)25(28)26-22-11-8-19(4)20(5)14-22/h6-14,17H,15-16H2,1-5H3,(H,26,28)/p+1
InChIKeyBUZXINBYDRPYQJ-UHFFFAOYSA-O
MW391.54 g/mol
LogP4.45
Rot. Bonds7

About [5-[(3,4-dimethylphenyl)carbamoyl]furan-2-yl]methyl-[(4-methylphenyl)methyl]-propan-2-ylazanium

[5-[(3,4-dimethylphenyl)carbamoyl]furan-2-yl]methyl-[(4-methylphenyl)methyl]-propan-2-ylazanium (PubChem CID 7499284) has the molecular formula C25H31N2O2+ and a molecular weight of 391.54 g/mol. Its IUPAC name is [5-[(3,4-dimethylphenyl)carbamoyl]furan-2-yl]methyl-[(4-methylphenyl)methyl]-propan-2-ylazanium.

Molecular Properties

Compound Name[5-[(3,4-dimethylphenyl)carbamoyl]furan-2-yl]methyl-[(4-methylphenyl)methyl]-propan-2-ylazanium
PubChem CID7499284
Molecular FormulaC25H31N2O2+
Molecular Weight391.54 g/mol
Exact Mass391.24
IUPAC Name[5-[(3,4-dimethylphenyl)carbamoyl]furan-2-yl]methyl-[(4-methylphenyl)methyl]-propan-2-ylazanium
SMILESCc1ccc(C[NH+](Cc2ccc(C(=O)Nc3ccc(C)c(C)c3)o2)C(C)C)cc1
InChIInChI=1S/C25H30N2O2/c1-17(2)27(15-21-9-6-18(3)7-10-21)16-23-12-13-24(29-23)25(28)26-22-11-8-19(4)20(5)14-22/h6-14,17H,15-16H2,1-5H3,(H,26,28)/p+1
InChIKeyBUZXINBYDRPYQJ-UHFFFAOYSA-O
XLogP4.45
TPSA46.68 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.54
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl-[[5-[(3,4-dimethylphenyl)carbamoyl]furan-2-yl]methyl]-[(4-methylphenyl)methyl]azanium
CID 7327033
N-(3,4-dimethylphenyl)-5-[[(4-methylbenzoyl)amino]methyl]furan-2-carboxamide
CID 22587903
N-(3,4-dimethylphenyl)-5-[(4-methylphenoxy)methyl]furan-2-carboxamide
CID 18830628
N-(3,4-dimethylphenyl)-5-methylfuran-2-carboxamide
CID 844275
5-bromo-N-(3,4-dimethylphenyl)furan-2-carboxamide
CID 730613
N-(3,4-dimethylphenyl)-5-[(6-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]furan-2-carboxamide
CID 1200778
5-ethyl-N-(3-fluoro-4-methylphenyl)furan-2-carboxamide
CID 46422285
5-(3,4-dimethylphenyl)-N-(4-propan-2-ylphenyl)furan-2-carboxamide
CID 4537752
N-(3,4-dimethylphenyl)-4,5-dimethylfuran-2-carboxamide
CID 2988789
5-(methoxymethyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 86913717
N-(3,4-dichlorophenyl)-5-[(3,4-dimethylphenoxy)methyl]furan-2-carboxamide
CID 19450784
5-(1,3-benzoxazol-2-ylsulfanylmethyl)-N-(3,4-dimethylphenyl)furan-2-carboxamide
CID 1200873

Frequently Asked Questions

What is the IUPAC name of [5-[(3,4-dimethylphenyl)carbamoyl]furan-2-yl]methyl-[(4-methylphenyl)methyl]-propan-2-ylazanium?
The IUPAC name of [5-[(3,4-dimethylphenyl)carbamoyl]furan-2-yl]methyl-[(4-methylphenyl)methyl]-propan-2-ylazanium (CID 7499284) is [5-[(3,4-dimethylphenyl)carbamoyl]furan-2-yl]methyl-[(4-methylphenyl)methyl]-propan-2-ylazanium.
What is the SMILES notation for [5-[(3,4-dimethylphenyl)carbamoyl]furan-2-yl]methyl-[(4-methylphenyl)methyl]-propan-2-ylazanium?
The canonical SMILES for [5-[(3,4-dimethylphenyl)carbamoyl]furan-2-yl]methyl-[(4-methylphenyl)methyl]-propan-2-ylazanium is Cc1ccc(C[NH+](Cc2ccc(C(=O)Nc3ccc(C)c(C)c3)o2)C(C)C)cc1.
What is the InChIKey of [5-[(3,4-dimethylphenyl)carbamoyl]furan-2-yl]methyl-[(4-methylphenyl)methyl]-propan-2-ylazanium?
The InChIKey is BUZXINBYDRPYQJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C25H30N2O2/c1-17(2)27(15-21-9-6-18(3)7-10-21)16-23-12-13-24(29-23)25(28)26-22-11-8-19(4)20(5)14-22/h6-14,17H,15-16H2,1-5H3,(H,26,28)/p+1.
What are the key properties of [5-[(3,4-dimethylphenyl)carbamoyl]furan-2-yl]methyl-[(4-methylphenyl)methyl]-propan-2-ylazanium?
[5-[(3,4-dimethylphenyl)carbamoyl]furan-2-yl]methyl-[(4-methylphenyl)methyl]-propan-2-ylazanium has a molecular weight of 391.54 g/mol, XLogP of 4.45, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(3,4-dimethylphenyl)carbamoyl]furan-2-yl]methyl-[(4-methylphenyl)methyl]-propan-2-ylazanium is sourced from PubChem (CID 7499284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).