2,5-dimethyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)furan-3-carboxamide

C18H22N2O2 — CID 42038603

IUPAC2,5-dimethyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)furan-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(N3CCCC3)cc2C)c(C)o1
InChIInChI=1S/C18H22N2O2/c1-12-10-15(20-8-4-5-9-20)6-7-17(12)19-18(21)16-11-13(2)22-14(16)3/h6-7,10-11H,4-5,8-9H2,1-3H3,(H,19,21)
InChIKeyUFBZLRFVNGRZHU-UHFFFAOYSA-N
MW298.39 g/mol
LogP4.06
Rot. Bonds3

About 2,5-dimethyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)furan-3-carboxamide

2,5-dimethyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)furan-3-carboxamide (PubChem CID 42038603) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 2,5-dimethyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)furan-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)furan-3-carboxamide
PubChem CID42038603
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name2,5-dimethyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)furan-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(N3CCCC3)cc2C)c(C)o1
InChIInChI=1S/C18H22N2O2/c1-12-10-15(20-8-4-5-9-20)6-7-17(12)19-18(21)16-11-13(2)22-14(16)3/h6-7,10-11H,4-5,8-9H2,1-3H3,(H,19,21)
InChIKeyUFBZLRFVNGRZHU-UHFFFAOYSA-N
XLogP4.06
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 2,5-dimethyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)furan-3-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

2,5-dimethyl-N-(4-pyrrolidin-1-ylphenyl)furan-3-carboxamide
CID 110862042
2-chloro-N-(2-methyl-4-pyrrolidin-1-ylphenyl)furan-3-carboxamide
CID 106685905
4-methyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)benzamide
CID 42157583
N-(2-methyl-4-pyrrolidin-1-ylphenyl)-1,3-benzodioxole-5-carboxamide
CID 42157747
N-(2-methyl-4-pyrrolidin-1-ylphenyl)-2-oxo-1H-pyridine-3-carboxamide
CID 17482365
N-(2-methyl-4-pyrrolidin-1-ylphenyl)-2-nitrobenzamide
CID 42157070
2-methyl-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]furan-3-carboxamide
CID 18127981
3-(dimethylamino)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)benzamide
CID 42157817
1,5-dimethyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)pyrazole-3-carboxamide
CID 78904439
3-(cyclopropanecarbonylamino)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)naphthalene-2-carboxamide
CID 41399571
(Z)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)but-2-enamide
CID 97305240
3-methoxy-4-methyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)benzamide
CID 42039924

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)furan-3-carboxamide?
The IUPAC name of 2,5-dimethyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)furan-3-carboxamide (CID 42038603) is 2,5-dimethyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)furan-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)furan-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)furan-3-carboxamide is Cc1cc(C(=O)Nc2ccc(N3CCCC3)cc2C)c(C)o1.
What is the InChIKey of 2,5-dimethyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)furan-3-carboxamide?
The InChIKey is UFBZLRFVNGRZHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-12-10-15(20-8-4-5-9-20)6-7-17(12)19-18(21)16-11-13(2)22-14(16)3/h6-7,10-11H,4-5,8-9H2,1-3H3,(H,19,21).
What are the key properties of 2,5-dimethyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)furan-3-carboxamide?
2,5-dimethyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)furan-3-carboxamide has a molecular weight of 298.39 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)furan-3-carboxamide is sourced from PubChem (CID 42038603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).