N-butyl-5-methyl-2,2-diphenyl-3H-furan-4-carboxamide

C22H25NO2 — CID 10688221

IUPACN-butyl-5-methyl-2,2-diphenyl-3H-furan-4-carboxamide
SMILESCCCCNC(=O)C1=C(C)OC(c2ccccc2)(c2ccccc2)C1
InChIInChI=1S/C22H25NO2/c1-3-4-15-23-21(24)20-16-22(25-17(20)2,18-11-7-5-8-12-18)19-13-9-6-10-14-19/h5-14H,3-4,15-16H2,1-2H3,(H,23,24)
InChIKeyKYBJFESRJFPNBF-UHFFFAOYSA-N
MW335.45 g/mol
LogP4.54
Rot. Bonds6

About N-butyl-5-methyl-2,2-diphenyl-3H-furan-4-carboxamide

N-butyl-5-methyl-2,2-diphenyl-3H-furan-4-carboxamide (PubChem CID 10688221) has the molecular formula C22H25NO2 and a molecular weight of 335.45 g/mol. Its IUPAC name is N-butyl-5-methyl-2,2-diphenyl-3H-furan-4-carboxamide.

Molecular Properties

Compound NameN-butyl-5-methyl-2,2-diphenyl-3H-furan-4-carboxamide
PubChem CID10688221
Molecular FormulaC22H25NO2
Molecular Weight335.45 g/mol
Exact Mass335.19
IUPAC NameN-butyl-5-methyl-2,2-diphenyl-3H-furan-4-carboxamide
SMILESCCCCNC(=O)C1=C(C)OC(c2ccccc2)(c2ccccc2)C1
InChIInChI=1S/C22H25NO2/c1-3-4-15-23-21(24)20-16-22(25-17(20)2,18-11-7-5-8-12-18)19-13-9-6-10-14-19/h5-14H,3-4,15-16H2,1-2H3,(H,23,24)
InChIKeyKYBJFESRJFPNBF-UHFFFAOYSA-N
XLogP4.54
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-butyl-5-methyl-2,2-diphenyl-3H-furan-4-carboxamide 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

Citridone A
CID 11415143
4-ethenyl-2-(4-fluorophenyl)-N-[2-(4-fluorophenyl)ethyl]-2,5-dihydrofuran-3-carboxamide
CID 57328485
4-ethenyl-2-(4-fluorophenyl)-N-[2-(2-fluorophenyl)ethyl]-2,5-dihydrofuran-3-carboxamide
CID 57328486
4-ethenyl-2-(4-fluorophenyl)-N-[2-(3-fluorophenyl)ethyl]-2,5-dihydrofuran-3-carboxamide
CID 57328487
N-[[4-(4-fluorophenyl)-5-methylidene-2-oxofuran-3-yl]methyl]-3-phenylpropanamide
CID 172460548
3-cyclopentyl-N-[4-[(3,4-difluorophenyl)methoxy]-2,6-dimethylcyclohexa-2,4-dien-1-yl]propanamide
CID 70927589
3-(4-Fluorophenyl)-3-(2-methylpropyl)-1,5,6,7-tetrahydrofuro[3,4-c]pyridin-4-one
CID 89614982
(4Z,5E)-4,5-di(ethylidene)-2-(4-fluorophenyl)-N-methylfuran-3-carboxamide
CID 90290329
2-(4-fluorophenyl)-N,5,5-trimethyl-4-methylidenefuran-3-carboxamide
CID 123141372
2-(4-fluorophenyl)-N,6-dimethyl-5-phenyl-3a,4-dihydro-1-benzofuran-3-carboxamide
CID 123235562
4,5-di(ethylidene)-2-(4-fluorophenyl)-N-methylfuran-3-carboxamide
CID 123309644
5-ethylidene-2-(4-fluorophenyl)-N-methyl-4-propylidenefuran-3-carboxamide
CID 123360801

Frequently Asked Questions

What is the IUPAC name of N-butyl-5-methyl-2,2-diphenyl-3H-furan-4-carboxamide?
The IUPAC name of N-butyl-5-methyl-2,2-diphenyl-3H-furan-4-carboxamide (CID 10688221) is N-butyl-5-methyl-2,2-diphenyl-3H-furan-4-carboxamide.
What is the SMILES notation for N-butyl-5-methyl-2,2-diphenyl-3H-furan-4-carboxamide?
The canonical SMILES for N-butyl-5-methyl-2,2-diphenyl-3H-furan-4-carboxamide is CCCCNC(=O)C1=C(C)OC(c2ccccc2)(c2ccccc2)C1.
What is the InChIKey of N-butyl-5-methyl-2,2-diphenyl-3H-furan-4-carboxamide?
The InChIKey is KYBJFESRJFPNBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO2/c1-3-4-15-23-21(24)20-16-22(25-17(20)2,18-11-7-5-8-12-18)19-13-9-6-10-14-19/h5-14H,3-4,15-16H2,1-2H3,(H,23,24).
What are the key properties of N-butyl-5-methyl-2,2-diphenyl-3H-furan-4-carboxamide?
N-butyl-5-methyl-2,2-diphenyl-3H-furan-4-carboxamide has a molecular weight of 335.45 g/mol, XLogP of 4.54, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-5-methyl-2,2-diphenyl-3H-furan-4-carboxamide is sourced from PubChem (CID 10688221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).