2-[(5-tert-butylfuran-2-yl)methyl]-4,5-dimethoxy-N-phenylbenzamide

C24H27NO4 — CID 142760526

IUPAC2-[(5-tert-butylfuran-2-yl)methyl]-4,5-dimethoxy-N-phenylbenzamide
SMILESCOc1cc(Cc2ccc(C(C)(C)C)o2)c(C(=O)Nc2ccccc2)cc1OC
InChIInChI=1S/C24H27NO4/c1-24(2,3)22-12-11-18(29-22)13-16-14-20(27-4)21(28-5)15-19(16)23(26)25-17-9-7-6-8-10-17/h6-12,14-15H,13H2,1-5H3,(H,25,26)
InChIKeyIAOQHILDOMHHMN-UHFFFAOYSA-N
MW393.48 g/mol
LogP5.44
Rot. Bonds6

About 2-[(5-tert-butylfuran-2-yl)methyl]-4,5-dimethoxy-N-phenylbenzamide

2-[(5-tert-butylfuran-2-yl)methyl]-4,5-dimethoxy-N-phenylbenzamide (PubChem CID 142760526) has the molecular formula C24H27NO4 and a molecular weight of 393.48 g/mol. Its IUPAC name is 2-[(5-tert-butylfuran-2-yl)methyl]-4,5-dimethoxy-N-phenylbenzamide.

Molecular Properties

Compound Name2-[(5-tert-butylfuran-2-yl)methyl]-4,5-dimethoxy-N-phenylbenzamide
PubChem CID142760526
Molecular FormulaC24H27NO4
Molecular Weight393.48 g/mol
Exact Mass393.19
IUPAC Name2-[(5-tert-butylfuran-2-yl)methyl]-4,5-dimethoxy-N-phenylbenzamide
SMILESCOc1cc(Cc2ccc(C(C)(C)C)o2)c(C(=O)Nc2ccccc2)cc1OC
InChIInChI=1S/C24H27NO4/c1-24(2,3)22-12-11-18(29-22)13-16-14-20(27-4)21(28-5)15-19(16)23(26)25-17-9-7-6-8-10-17/h6-12,14-15H,13H2,1-5H3,(H,25,26)
InChIKeyIAOQHILDOMHHMN-UHFFFAOYSA-N
XLogP5.44
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.48
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(5-tert-butylfuran-2-yl)methyl]-4,5-dimethoxy-N-phenylbenzamide 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

2-[(5-tert-butylfuran-2-yl)methyl]benzoic acid
CID 102406633
5-tert-butyl-2-methyl-N-phenylfuran-3-carboxamide
CID 2742902
N-(3-benzamidophenyl)-2,4,5-trimethoxybenzamide
CID 55797225
[4-(phenylcarbamoyl)phenyl]methyl 2-(2,2-dimethylpropanoylamino)-4,5-dimethoxybenzoate
CID 24577349
4-amino-2-chloro-5-methoxy-N-phenylbenzamide
CID 66664690
2-[(3,4-dimethoxyphenyl)methylamino]-N-phenylbenzamide
CID 15008953
2,4,5-trimethoxy-N-[4-(methylcarbamoyl)phenyl]benzamide
CID 4793592
4-[(2-chloroacetyl)amino]-2,5-dimethoxy-N-phenylbenzamide
CID 18804059
[3-methoxy-4-(phenylcarbamoyl)phenyl]boronic acid
CID 22346905
5,6-dimethoxy-N-phenyl-1H-indole-3-carboxamide
CID 113206946
2-methoxy-N-[4-[2-(2-methoxyphenyl)ethylamino]phenyl]benzamide
CID 112983517
N-(3-acetamidophenyl)-5-[(2,5-dimethoxyphenyl)methyl]furan-2-carboxamide
CID 21047625

Frequently Asked Questions

What is the IUPAC name of 2-[(5-tert-butylfuran-2-yl)methyl]-4,5-dimethoxy-N-phenylbenzamide?
The IUPAC name of 2-[(5-tert-butylfuran-2-yl)methyl]-4,5-dimethoxy-N-phenylbenzamide (CID 142760526) is 2-[(5-tert-butylfuran-2-yl)methyl]-4,5-dimethoxy-N-phenylbenzamide.
What is the SMILES notation for 2-[(5-tert-butylfuran-2-yl)methyl]-4,5-dimethoxy-N-phenylbenzamide?
The canonical SMILES for 2-[(5-tert-butylfuran-2-yl)methyl]-4,5-dimethoxy-N-phenylbenzamide is COc1cc(Cc2ccc(C(C)(C)C)o2)c(C(=O)Nc2ccccc2)cc1OC.
What is the InChIKey of 2-[(5-tert-butylfuran-2-yl)methyl]-4,5-dimethoxy-N-phenylbenzamide?
The InChIKey is IAOQHILDOMHHMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO4/c1-24(2,3)22-12-11-18(29-22)13-16-14-20(27-4)21(28-5)15-19(16)23(26)25-17-9-7-6-8-10-17/h6-12,14-15H,13H2,1-5H3,(H,25,26).
What are the key properties of 2-[(5-tert-butylfuran-2-yl)methyl]-4,5-dimethoxy-N-phenylbenzamide?
2-[(5-tert-butylfuran-2-yl)methyl]-4,5-dimethoxy-N-phenylbenzamide has a molecular weight of 393.48 g/mol, XLogP of 5.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-tert-butylfuran-2-yl)methyl]-4,5-dimethoxy-N-phenylbenzamide is sourced from PubChem (CID 142760526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).