N-(furan-2-ylmethyl)-N,2,5-trimethyl-1-(1-phenylethyl)pyrrole-3-carboxamide

C21H24N2O2 — CID 112819737

IUPACN-(furan-2-ylmethyl)-N,2,5-trimethyl-1-(1-phenylethyl)pyrrole-3-carboxamide
SMILESCc1cc(C(=O)N(C)Cc2ccco2)c(C)n1C(C)c1ccccc1
InChIInChI=1S/C21H24N2O2/c1-15-13-20(21(24)22(4)14-19-11-8-12-25-19)17(3)23(15)16(2)18-9-6-5-7-10-18/h5-13,16H,14H2,1-4H3
InChIKeyWMHNJKIRQACYAM-UHFFFAOYSA-N
MW336.44 g/mol
LogP4.58
Rot. Bonds5

About N-(furan-2-ylmethyl)-N,2,5-trimethyl-1-(1-phenylethyl)pyrrole-3-carboxamide

N-(furan-2-ylmethyl)-N,2,5-trimethyl-1-(1-phenylethyl)pyrrole-3-carboxamide (PubChem CID 112819737) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N,2,5-trimethyl-1-(1-phenylethyl)pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N,2,5-trimethyl-1-(1-phenylethyl)pyrrole-3-carboxamide
PubChem CID112819737
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC NameN-(furan-2-ylmethyl)-N,2,5-trimethyl-1-(1-phenylethyl)pyrrole-3-carboxamide
SMILESCc1cc(C(=O)N(C)Cc2ccco2)c(C)n1C(C)c1ccccc1
InChIInChI=1S/C21H24N2O2/c1-15-13-20(21(24)22(4)14-19-11-8-12-25-19)17(3)23(15)16(2)18-9-6-5-7-10-18/h5-13,16H,14H2,1-4H3
InChIKeyWMHNJKIRQACYAM-UHFFFAOYSA-N
XLogP4.58
TPSA38.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[2,5-dimethyl-1-[(1S)-1-phenylethyl]pyrrol-3-yl]-2-oxoethyl] furan-2-carboxylate
CID 7813839
2-amino-N-(furan-2-ylmethyl)-N,5-dimethylbenzamide
CID 62072448
2-amino-4-bromo-N-(furan-2-ylmethyl)-N-methylbenzamide
CID 79714273
N-(2-amino-2-phenylethyl)-2,5-dimethyl-1-(1-phenylethyl)pyrrole-3-carboxamide
CID 119528404
N-[(2-fluorophenyl)methyl]-N,2,5-trimethyl-1-propan-2-ylpyrrole-3-carboxamide
CID 112789852
3-amino-N-(furan-2-ylmethyl)-N-methyl-2-phenylpropanamide
CID 62878878
N-(furan-2-ylmethyl)-N-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 18111834
2-chloro-N-(furan-2-ylmethyl)-N-methylquinoline-4-carboxamide
CID 18290744
2-amino-N-(furan-2-ylmethyl)-4,5-dimethoxy-N-methylbenzamide
CID 43526528
N-(furan-2-ylmethyl)-3,5-dimethoxy-N,4-dimethylbenzamide
CID 31288728
N-(furan-2-ylmethyl)-1-hydroxy-N-methylnaphthalene-2-carboxamide
CID 43396704
N,2,5-trimethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-propan-2-ylpyrrole-3-carboxamide
CID 135877066

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N,2,5-trimethyl-1-(1-phenylethyl)pyrrole-3-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-N,2,5-trimethyl-1-(1-phenylethyl)pyrrole-3-carboxamide (CID 112819737) is N-(furan-2-ylmethyl)-N,2,5-trimethyl-1-(1-phenylethyl)pyrrole-3-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-N,2,5-trimethyl-1-(1-phenylethyl)pyrrole-3-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-N,2,5-trimethyl-1-(1-phenylethyl)pyrrole-3-carboxamide is Cc1cc(C(=O)N(C)Cc2ccco2)c(C)n1C(C)c1ccccc1.
What is the InChIKey of N-(furan-2-ylmethyl)-N,2,5-trimethyl-1-(1-phenylethyl)pyrrole-3-carboxamide?
The InChIKey is WMHNJKIRQACYAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-15-13-20(21(24)22(4)14-19-11-8-12-25-19)17(3)23(15)16(2)18-9-6-5-7-10-18/h5-13,16H,14H2,1-4H3.
What are the key properties of N-(furan-2-ylmethyl)-N,2,5-trimethyl-1-(1-phenylethyl)pyrrole-3-carboxamide?
N-(furan-2-ylmethyl)-N,2,5-trimethyl-1-(1-phenylethyl)pyrrole-3-carboxamide has a molecular weight of 336.44 g/mol, XLogP of 4.58, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N,2,5-trimethyl-1-(1-phenylethyl)pyrrole-3-carboxamide is sourced from PubChem (CID 112819737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).