tert-butyl-[[5-[(3,4-dimethylphenyl)carbamoyl]furan-2-yl]methyl]-[(4-methylphenyl)methyl]azanium

C26H33N2O2+ — CID 7327033

IUPACtert-butyl-[[5-[(3,4-dimethylphenyl)carbamoyl]furan-2-yl]methyl]-[(4-methylphenyl)methyl]azanium
SMILESCc1ccc(C[NH+](Cc2ccc(C(=O)Nc3ccc(C)c(C)c3)o2)C(C)(C)C)cc1
InChIInChI=1S/C26H32N2O2/c1-18-7-10-21(11-8-18)16-28(26(4,5)6)17-23-13-14-24(30-23)25(29)27-22-12-9-19(2)20(3)15-22/h7-15H,16-17H2,1-6H3,(H,27,29)/p+1
InChIKeyYACPLCDPDPFNAI-UHFFFAOYSA-O
MW405.56 g/mol
LogP4.84
Rot. Bonds6

About tert-butyl-[[5-[(3,4-dimethylphenyl)carbamoyl]furan-2-yl]methyl]-[(4-methylphenyl)methyl]azanium

tert-butyl-[[5-[(3,4-dimethylphenyl)carbamoyl]furan-2-yl]methyl]-[(4-methylphenyl)methyl]azanium (PubChem CID 7327033) has the molecular formula C26H33N2O2+ and a molecular weight of 405.56 g/mol. Its IUPAC name is tert-butyl-[[5-[(3,4-dimethylphenyl)carbamoyl]furan-2-yl]methyl]-[(4-methylphenyl)methyl]azanium.

Molecular Properties

Compound Nametert-butyl-[[5-[(3,4-dimethylphenyl)carbamoyl]furan-2-yl]methyl]-[(4-methylphenyl)methyl]azanium
PubChem CID7327033
Molecular FormulaC26H33N2O2+
Molecular Weight405.56 g/mol
Exact Mass405.25
IUPAC Nametert-butyl-[[5-[(3,4-dimethylphenyl)carbamoyl]furan-2-yl]methyl]-[(4-methylphenyl)methyl]azanium
SMILESCc1ccc(C[NH+](Cc2ccc(C(=O)Nc3ccc(C)c(C)c3)o2)C(C)(C)C)cc1
InChIInChI=1S/C26H32N2O2/c1-18-7-10-21(11-8-18)16-28(26(4,5)6)17-23-13-14-24(30-23)25(29)27-22-12-9-19(2)20(3)15-22/h7-15H,16-17H2,1-6H3,(H,27,29)/p+1
InChIKeyYACPLCDPDPFNAI-UHFFFAOYSA-O
XLogP4.84
TPSA46.68 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.56
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze tert-butyl-[[5-[(3,4-dimethylphenyl)carbamoyl]furan-2-yl]methyl]-[(4-methylphenyl)methyl]azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[5-[(3,4-dimethylphenyl)carbamoyl]furan-2-yl]methyl-[(4-methylphenyl)methyl]-propan-2-ylazanium
CID 7499284
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-(methoxymethyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 86913717
5-ethyl-N-(3-fluoro-4-methylphenyl)furan-2-carboxamide
CID 46422285
N-(3,4-dimethylphenyl)-4,5-dimethylfuran-2-carboxamide
CID 2988789
5-[[cyclohexyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-N-(3,4-dimethylphenyl)furan-2-carboxamide
CID 42750810
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 tert-butyl-[[5-[(3,4-dimethylphenyl)carbamoyl]furan-2-yl]methyl]-[(4-methylphenyl)methyl]azanium?
The IUPAC name of tert-butyl-[[5-[(3,4-dimethylphenyl)carbamoyl]furan-2-yl]methyl]-[(4-methylphenyl)methyl]azanium (CID 7327033) is tert-butyl-[[5-[(3,4-dimethylphenyl)carbamoyl]furan-2-yl]methyl]-[(4-methylphenyl)methyl]azanium.
What is the SMILES notation for tert-butyl-[[5-[(3,4-dimethylphenyl)carbamoyl]furan-2-yl]methyl]-[(4-methylphenyl)methyl]azanium?
The canonical SMILES for tert-butyl-[[5-[(3,4-dimethylphenyl)carbamoyl]furan-2-yl]methyl]-[(4-methylphenyl)methyl]azanium is Cc1ccc(C[NH+](Cc2ccc(C(=O)Nc3ccc(C)c(C)c3)o2)C(C)(C)C)cc1.
What is the InChIKey of tert-butyl-[[5-[(3,4-dimethylphenyl)carbamoyl]furan-2-yl]methyl]-[(4-methylphenyl)methyl]azanium?
The InChIKey is YACPLCDPDPFNAI-UHFFFAOYSA-O. The full InChI is InChI=1S/C26H32N2O2/c1-18-7-10-21(11-8-18)16-28(26(4,5)6)17-23-13-14-24(30-23)25(29)27-22-12-9-19(2)20(3)15-22/h7-15H,16-17H2,1-6H3,(H,27,29)/p+1.
What are the key properties of tert-butyl-[[5-[(3,4-dimethylphenyl)carbamoyl]furan-2-yl]methyl]-[(4-methylphenyl)methyl]azanium?
tert-butyl-[[5-[(3,4-dimethylphenyl)carbamoyl]furan-2-yl]methyl]-[(4-methylphenyl)methyl]azanium has a molecular weight of 405.56 g/mol, XLogP of 4.84, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[5-[(3,4-dimethylphenyl)carbamoyl]furan-2-yl]methyl]-[(4-methylphenyl)methyl]azanium is sourced from PubChem (CID 7327033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).