N-(4-butylphenyl)-3-(furan-2-yl)-1,4-dimethylpyrrole-2-carboxamide

C21H24N2O2 — CID 66883563

IUPACN-(4-butylphenyl)-3-(furan-2-yl)-1,4-dimethylpyrrole-2-carboxamide
SMILESCCCCc1ccc(NC(=O)c2c(-c3ccco3)c(C)cn2C)cc1
InChIInChI=1S/C21H24N2O2/c1-4-5-7-16-9-11-17(12-10-16)22-21(24)20-19(15(2)14-23(20)3)18-8-6-13-25-18/h6,8-14H,4-5,7H2,1-3H3,(H,22,24)
InChIKeyBLNHFVZKDQUYAY-UHFFFAOYSA-N
MW336.44 g/mol
LogP5.19
Rot. Bonds6

About N-(4-butylphenyl)-3-(furan-2-yl)-1,4-dimethylpyrrole-2-carboxamide

N-(4-butylphenyl)-3-(furan-2-yl)-1,4-dimethylpyrrole-2-carboxamide (PubChem CID 66883563) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is N-(4-butylphenyl)-3-(furan-2-yl)-1,4-dimethylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(4-butylphenyl)-3-(furan-2-yl)-1,4-dimethylpyrrole-2-carboxamide
PubChem CID66883563
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC NameN-(4-butylphenyl)-3-(furan-2-yl)-1,4-dimethylpyrrole-2-carboxamide
SMILESCCCCc1ccc(NC(=O)c2c(-c3ccco3)c(C)cn2C)cc1
InChIInChI=1S/C21H24N2O2/c1-4-5-7-16-9-11-17(12-10-16)22-21(24)20-19(15(2)14-23(20)3)18-8-6-13-25-18/h6,8-14H,4-5,7H2,1-3H3,(H,22,24)
InChIKeyBLNHFVZKDQUYAY-UHFFFAOYSA-N
XLogP5.19
TPSA47.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.44
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-butylphenyl)-2-[6-(furan-2-yl)pyridazin-3-yl]sulfanylacetamide
CID 7688106
N-(4-butylphenyl)-2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]acetamide
CID 121090581
N-(4-butylphenyl)-2,2-dimethylpropanamide
CID 4601922
3-(furan-2-yl)-4-methyl-N-pentyl-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrole-2-carboxamide
CID 66882605
N,N'-bis(4-butylphenyl)oxamide
CID 3438016
[2-(4-butylanilino)-2-oxoethyl] furan-2-carboxylate
CID 2356450
5-amino-N-(4-butylphenyl)furan-2-carboxamide
CID 82344263
N-[(4-tetradecylphenyl)carbamothioyl]furan-2-carboxamide
CID 11732936
N-(4-butylphenyl)-5-(3,4-dimethylphenyl)furan-2-carboxamide
CID 3628910
2-amino-N-(4-butylphenyl)-2-methylpropanamide
CID 61267154
N-(4-butylphenyl)-4-hydroxy-3-methylbenzamide
CID 107676610
1-(2-aminoethyl)-N-(4-butylphenyl)imidazole-4-carboxamide
CID 107495955

Frequently Asked Questions

What is the IUPAC name of N-(4-butylphenyl)-3-(furan-2-yl)-1,4-dimethylpyrrole-2-carboxamide?
The IUPAC name of N-(4-butylphenyl)-3-(furan-2-yl)-1,4-dimethylpyrrole-2-carboxamide (CID 66883563) is N-(4-butylphenyl)-3-(furan-2-yl)-1,4-dimethylpyrrole-2-carboxamide.
What is the SMILES notation for N-(4-butylphenyl)-3-(furan-2-yl)-1,4-dimethylpyrrole-2-carboxamide?
The canonical SMILES for N-(4-butylphenyl)-3-(furan-2-yl)-1,4-dimethylpyrrole-2-carboxamide is CCCCc1ccc(NC(=O)c2c(-c3ccco3)c(C)cn2C)cc1.
What is the InChIKey of N-(4-butylphenyl)-3-(furan-2-yl)-1,4-dimethylpyrrole-2-carboxamide?
The InChIKey is BLNHFVZKDQUYAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-4-5-7-16-9-11-17(12-10-16)22-21(24)20-19(15(2)14-23(20)3)18-8-6-13-25-18/h6,8-14H,4-5,7H2,1-3H3,(H,22,24).
What are the key properties of N-(4-butylphenyl)-3-(furan-2-yl)-1,4-dimethylpyrrole-2-carboxamide?
N-(4-butylphenyl)-3-(furan-2-yl)-1,4-dimethylpyrrole-2-carboxamide has a molecular weight of 336.44 g/mol, XLogP of 5.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butylphenyl)-3-(furan-2-yl)-1,4-dimethylpyrrole-2-carboxamide is sourced from PubChem (CID 66883563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).