N-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]-N-propan-2-ylfuran-2-carboxamide

C21H24N2O2 — CID 42762739

IUPACN-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]-N-propan-2-ylfuran-2-carboxamide
SMILESCc1ccc(Cn2cccc2CN(C(=O)c2ccco2)C(C)C)cc1
InChIInChI=1S/C21H24N2O2/c1-16(2)23(21(24)20-7-5-13-25-20)15-19-6-4-12-22(19)14-18-10-8-17(3)9-11-18/h4-13,16H,14-15H2,1-3H3
InChIKeyPDLXBHBHVFXXJX-UHFFFAOYSA-N
MW336.44 g/mol
LogP4.49
Rot. Bonds6

About N-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]-N-propan-2-ylfuran-2-carboxamide

N-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]-N-propan-2-ylfuran-2-carboxamide (PubChem CID 42762739) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is N-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]-N-propan-2-ylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]-N-propan-2-ylfuran-2-carboxamide
PubChem CID42762739
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC NameN-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]-N-propan-2-ylfuran-2-carboxamide
SMILESCc1ccc(Cn2cccc2CN(C(=O)c2ccco2)C(C)C)cc1
InChIInChI=1S/C21H24N2O2/c1-16(2)23(21(24)20-7-5-13-25-20)15-19-6-4-12-22(19)14-18-10-8-17(3)9-11-18/h4-13,16H,14-15H2,1-3H3
InChIKeyPDLXBHBHVFXXJX-UHFFFAOYSA-N
XLogP4.49
TPSA38.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]-N-propan-2-ylfuran-2-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

N-[(1-benzylpyrrol-2-yl)methyl]-N-propan-2-ylfuran-2-carboxamide
CID 810205
N-[2-[(1-benzylpyrrol-2-yl)methyl-propan-2-ylamino]-2-oxoethyl]-N-propan-2-ylfuran-2-carboxamide
CID 42776763
4-fluoro-N-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]-N-propan-2-ylbenzamide
CID 42762727
N-[2-[benzyl-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl]amino]-2-oxoethyl]-N-propan-2-ylfuran-2-carboxamide
CID 4032346
2-chloro-N-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]-N-propan-2-ylpropanamide
CID 42762771
N-[2-[(1-benzylpyrrol-2-yl)methyl-(2-methoxyethyl)amino]-2-oxoethyl]-N-propan-2-ylfuran-2-carboxamide
CID 3566548
1-[(1-benzylpyrrol-2-yl)methyl]-3-(4-methylphenyl)-1-propan-2-ylurea
CID 3996330
N-[(1-benzylpyrrol-2-yl)methyl]-2-chloro-N-propan-2-ylbenzamide
CID 5004292
N-[(1-benzylpyrrol-2-yl)methyl]-4-fluoro-N-propan-2-ylbenzamide
CID 3915866
N-[2-[(1-benzylpyrrol-2-yl)methyl-propan-2-ylamino]-2-oxoethyl]-N-cyclopropyl-4-methylbenzamide
CID 3440075
(2R)-3-methyl-N-[(4-methylphenyl)methyl]-N-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]butan-2-amine
CID 93116310
N-[2-[(1-benzylpyrrol-2-yl)methyl-propan-2-ylamino]-2-oxoethyl]-3-methyl-N-propan-2-ylbenzamide
CID 42776847

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]-N-propan-2-ylfuran-2-carboxamide?
The IUPAC name of N-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]-N-propan-2-ylfuran-2-carboxamide (CID 42762739) is N-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]-N-propan-2-ylfuran-2-carboxamide.
What is the SMILES notation for N-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]-N-propan-2-ylfuran-2-carboxamide?
The canonical SMILES for N-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]-N-propan-2-ylfuran-2-carboxamide is Cc1ccc(Cn2cccc2CN(C(=O)c2ccco2)C(C)C)cc1.
What is the InChIKey of N-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]-N-propan-2-ylfuran-2-carboxamide?
The InChIKey is PDLXBHBHVFXXJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-16(2)23(21(24)20-7-5-13-25-20)15-19-6-4-12-22(19)14-18-10-8-17(3)9-11-18/h4-13,16H,14-15H2,1-3H3.
What are the key properties of N-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]-N-propan-2-ylfuran-2-carboxamide?
N-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]-N-propan-2-ylfuran-2-carboxamide has a molecular weight of 336.44 g/mol, XLogP of 4.49, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]-N-propan-2-ylfuran-2-carboxamide is sourced from PubChem (CID 42762739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).