N-(furan-2-ylmethyl)-1-[(3-methoxyphenyl)methyl]-3,4,5-trimethylpyrrole-2-carboxamide

C21H24N2O3 — CID 42810289

IUPACN-(furan-2-ylmethyl)-1-[(3-methoxyphenyl)methyl]-3,4,5-trimethylpyrrole-2-carboxamide
SMILESCOc1cccc(Cn2c(C)c(C)c(C)c2C(=O)NCc2ccco2)c1
InChIInChI=1S/C21H24N2O3/c1-14-15(2)20(21(24)22-12-19-9-6-10-26-19)23(16(14)3)13-17-7-5-8-18(11-17)25-4/h5-11H,12-13H2,1-4H3,(H,22,24)
InChIKeyKRHDWBUMBGIFEG-UHFFFAOYSA-N
MW352.43 g/mol
LogP3.99
Rot. Bonds6

About N-(furan-2-ylmethyl)-1-[(3-methoxyphenyl)methyl]-3,4,5-trimethylpyrrole-2-carboxamide

N-(furan-2-ylmethyl)-1-[(3-methoxyphenyl)methyl]-3,4,5-trimethylpyrrole-2-carboxamide (PubChem CID 42810289) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-1-[(3-methoxyphenyl)methyl]-3,4,5-trimethylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-1-[(3-methoxyphenyl)methyl]-3,4,5-trimethylpyrrole-2-carboxamide
PubChem CID42810289
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC NameN-(furan-2-ylmethyl)-1-[(3-methoxyphenyl)methyl]-3,4,5-trimethylpyrrole-2-carboxamide
SMILESCOc1cccc(Cn2c(C)c(C)c(C)c2C(=O)NCc2ccco2)c1
InChIInChI=1S/C21H24N2O3/c1-14-15(2)20(21(24)22-12-19-9-6-10-26-19)23(16(14)3)13-17-7-5-8-18(11-17)25-4/h5-11H,12-13H2,1-4H3,(H,22,24)
InChIKeyKRHDWBUMBGIFEG-UHFFFAOYSA-N
XLogP3.99
TPSA56.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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(3aS,4S,7aS)-N-(furan-2-ylmethyl)-6-[(3-methoxyphenyl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-4-carboxamide
CID 155877207
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CID 109169233
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N-(furan-2-ylmethyl)-4-[(3-methoxyphenyl)methylideneamino]-1-methylpyrazole-5-carboxamide
CID 4862901
N-(furan-2-ylmethyl)-4-[(3-methoxyphenoxy)methyl]thiophene-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-1-[(3-methoxyphenyl)methyl]-3,4,5-trimethylpyrrole-2-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-1-[(3-methoxyphenyl)methyl]-3,4,5-trimethylpyrrole-2-carboxamide (CID 42810289) is N-(furan-2-ylmethyl)-1-[(3-methoxyphenyl)methyl]-3,4,5-trimethylpyrrole-2-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-1-[(3-methoxyphenyl)methyl]-3,4,5-trimethylpyrrole-2-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-1-[(3-methoxyphenyl)methyl]-3,4,5-trimethylpyrrole-2-carboxamide is COc1cccc(Cn2c(C)c(C)c(C)c2C(=O)NCc2ccco2)c1.
What is the InChIKey of N-(furan-2-ylmethyl)-1-[(3-methoxyphenyl)methyl]-3,4,5-trimethylpyrrole-2-carboxamide?
The InChIKey is KRHDWBUMBGIFEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-14-15(2)20(21(24)22-12-19-9-6-10-26-19)23(16(14)3)13-17-7-5-8-18(11-17)25-4/h5-11H,12-13H2,1-4H3,(H,22,24).
What are the key properties of N-(furan-2-ylmethyl)-1-[(3-methoxyphenyl)methyl]-3,4,5-trimethylpyrrole-2-carboxamide?
N-(furan-2-ylmethyl)-1-[(3-methoxyphenyl)methyl]-3,4,5-trimethylpyrrole-2-carboxamide has a molecular weight of 352.43 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-1-[(3-methoxyphenyl)methyl]-3,4,5-trimethylpyrrole-2-carboxamide is sourced from PubChem (CID 42810289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).