N-[3-(furan-2-yl)-1-[(4-methoxyphenyl)methyl]-4-methylpyrrol-2-yl]-3,3-dimethylbutanamide

C23H28N2O3 — CID 24880946

IUPACN-[3-(furan-2-yl)-1-[(4-methoxyphenyl)methyl]-4-methylpyrrol-2-yl]-3,3-dimethylbutanamide
SMILESCOc1ccc(Cn2cc(C)c(-c3ccco3)c2NC(=O)CC(C)(C)C)cc1
InChIInChI=1S/C23H28N2O3/c1-16-14-25(15-17-8-10-18(27-5)11-9-17)22(21(16)19-7-6-12-28-19)24-20(26)13-23(2,3)4/h6-12,14H,13,15H2,1-5H3,(H,24,26)
InChIKeyZQKAGIUEYYFIQK-UHFFFAOYSA-N
MW380.49 g/mol
LogP5.49
Rot. Bonds6

About N-[3-(furan-2-yl)-1-[(4-methoxyphenyl)methyl]-4-methylpyrrol-2-yl]-3,3-dimethylbutanamide

N-[3-(furan-2-yl)-1-[(4-methoxyphenyl)methyl]-4-methylpyrrol-2-yl]-3,3-dimethylbutanamide (PubChem CID 24880946) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is N-[3-(furan-2-yl)-1-[(4-methoxyphenyl)methyl]-4-methylpyrrol-2-yl]-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[3-(furan-2-yl)-1-[(4-methoxyphenyl)methyl]-4-methylpyrrol-2-yl]-3,3-dimethylbutanamide
PubChem CID24880946
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC NameN-[3-(furan-2-yl)-1-[(4-methoxyphenyl)methyl]-4-methylpyrrol-2-yl]-3,3-dimethylbutanamide
SMILESCOc1ccc(Cn2cc(C)c(-c3ccco3)c2NC(=O)CC(C)(C)C)cc1
InChIInChI=1S/C23H28N2O3/c1-16-14-25(15-17-8-10-18(27-5)11-9-17)22(21(16)19-7-6-12-28-19)24-20(26)13-23(2,3)4/h6-12,14H,13,15H2,1-5H3,(H,24,26)
InChIKeyZQKAGIUEYYFIQK-UHFFFAOYSA-N
XLogP5.49
TPSA56.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.49
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-4-methylpyrrol-2-yl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 24880100
N-[(2,4-dimethoxyphenyl)methyl]-1-[(4-fluorophenyl)methyl]-3-(furan-2-yl)-4-methylpyrrole-2-carboxamide
CID 24880679
[1-[(4-fluorophenyl)methyl]-3-(furan-2-yl)-4-methylpyrrol-2-yl] N-[(2,4-dimethoxyphenyl)methyl]carbamate
CID 66883360
N-[(4-methoxyphenyl)methyl]-3,3-dimethylbutanamide
CID 3434751
N-(furan-2-ylmethyl)-3-[1-[(4-methoxyphenyl)methyl]indol-3-yl]-4,4-dimethylpentanamide
CID 83274949
[1-[(4-methoxyphenyl)methyl]-4-methyl-3-(4-methylphenyl)pyrrol-2-yl] hydrogen carbonate
CID 68913001
N-(2,5-dimethylphenyl)-2-[4-(hydroxymethyl)-1-[(4-methoxyphenyl)methyl]imidazol-2-yl]sulfanylacetamide
CID 7621936
N'-(3,3-dimethylbutanoyl)-4-methoxybenzohydrazide
CID 27169274
N-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]-3-(4-methoxyphenyl)propanamide
CID 154770900
1-[3-(furan-2-yl)-5-[(4-methoxyphenyl)methylamino]-1,2,4-triazol-1-yl]propan-1-one
CID 4988028
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 3-(furan-2-yl)prop-2-enoate
CID 3984156
methyl 2-(benzhydrylideneamino)-2-[1-[(4-methoxyphenyl)methyl]-5-methyl-2-oxo-4-pyridinyl]acetate
CID 169193829

Frequently Asked Questions

What is the IUPAC name of N-[3-(furan-2-yl)-1-[(4-methoxyphenyl)methyl]-4-methylpyrrol-2-yl]-3,3-dimethylbutanamide?
The IUPAC name of N-[3-(furan-2-yl)-1-[(4-methoxyphenyl)methyl]-4-methylpyrrol-2-yl]-3,3-dimethylbutanamide (CID 24880946) is N-[3-(furan-2-yl)-1-[(4-methoxyphenyl)methyl]-4-methylpyrrol-2-yl]-3,3-dimethylbutanamide.
What is the SMILES notation for N-[3-(furan-2-yl)-1-[(4-methoxyphenyl)methyl]-4-methylpyrrol-2-yl]-3,3-dimethylbutanamide?
The canonical SMILES for N-[3-(furan-2-yl)-1-[(4-methoxyphenyl)methyl]-4-methylpyrrol-2-yl]-3,3-dimethylbutanamide is COc1ccc(Cn2cc(C)c(-c3ccco3)c2NC(=O)CC(C)(C)C)cc1.
What is the InChIKey of N-[3-(furan-2-yl)-1-[(4-methoxyphenyl)methyl]-4-methylpyrrol-2-yl]-3,3-dimethylbutanamide?
The InChIKey is ZQKAGIUEYYFIQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-16-14-25(15-17-8-10-18(27-5)11-9-17)22(21(16)19-7-6-12-28-19)24-20(26)13-23(2,3)4/h6-12,14H,13,15H2,1-5H3,(H,24,26).
What are the key properties of N-[3-(furan-2-yl)-1-[(4-methoxyphenyl)methyl]-4-methylpyrrol-2-yl]-3,3-dimethylbutanamide?
N-[3-(furan-2-yl)-1-[(4-methoxyphenyl)methyl]-4-methylpyrrol-2-yl]-3,3-dimethylbutanamide has a molecular weight of 380.49 g/mol, XLogP of 5.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(furan-2-yl)-1-[(4-methoxyphenyl)methyl]-4-methylpyrrol-2-yl]-3,3-dimethylbutanamide is sourced from PubChem (CID 24880946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).