N-benzyl-N-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]furan-2-carboxamide

C25H24N2O3 — CID 4554266

IUPACN-benzyl-N-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]furan-2-carboxamide
SMILESCOc1cccc(Cn2cccc2CN(Cc2ccccc2)C(=O)c2ccco2)c1
InChIInChI=1S/C25H24N2O3/c1-29-23-12-5-10-21(16-23)18-26-14-6-11-22(26)19-27(17-20-8-3-2-4-9-20)25(28)24-13-7-15-30-24/h2-16H,17-19H2,1H3
InChIKeyUPJGEWOZERFILT-UHFFFAOYSA-N
MW400.48 g/mol
LogP4.98
Rot. Bonds8

About N-benzyl-N-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]furan-2-carboxamide

N-benzyl-N-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]furan-2-carboxamide (PubChem CID 4554266) has the molecular formula C25H24N2O3 and a molecular weight of 400.48 g/mol. Its IUPAC name is N-benzyl-N-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]furan-2-carboxamide
PubChem CID4554266
Molecular FormulaC25H24N2O3
Molecular Weight400.48 g/mol
Exact Mass400.18
IUPAC NameN-benzyl-N-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]furan-2-carboxamide
SMILESCOc1cccc(Cn2cccc2CN(Cc2ccccc2)C(=O)c2ccco2)c1
InChIInChI=1S/C25H24N2O3/c1-29-23-12-5-10-21(16-23)18-26-14-6-11-22(26)19-27(17-20-8-3-2-4-9-20)25(28)24-13-7-15-30-24/h2-16H,17-19H2,1H3
InChIKeyUPJGEWOZERFILT-UHFFFAOYSA-N
XLogP4.98
TPSA47.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[benzyl-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]amino]-2-oxoethyl]-N-(3-ethoxypropyl)furan-2-carboxamide
CID 42664420
N-[2-[benzyl-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]amino]-2-oxoethyl]-N-[(2R)-butan-2-yl]furan-2-carboxamide
CID 97479562
N-benzyl-3-methoxy-N-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]benzamide
CID 3975484
N-[2-[benzyl-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]amino]-2-oxoethyl]-N-propylbenzamide
CID 42664361
N-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]-2-phenoxy-N-prop-2-enylacetamide
CID 4317617
N-butyl-N-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]-2-phenylacetamide
CID 5219910
4-bromo-N-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]-N-prop-2-enylbenzamide
CID 3566076
2-chloro-N-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]-N-prop-2-enylbenzamide
CID 4556688
N-benzyl-N-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]-2-[2-methylpropyl-(2-phenoxyacetyl)amino]acetamide
CID 4292187
N-[2-[benzyl-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]amino]-2-oxoethyl]-N-butan-2-yl-3-methylbutanamide
CID 42771276
N-[2-[benzyl-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]amino]-2-oxoethyl]-N-butylhexanamide
CID 3688758
N-[2-[benzyl-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]amino]-2-oxoethyl]-N-butyldodecanamide
CID 42771285

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]furan-2-carboxamide?
The IUPAC name of N-benzyl-N-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]furan-2-carboxamide (CID 4554266) is N-benzyl-N-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]furan-2-carboxamide.
What is the SMILES notation for N-benzyl-N-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]furan-2-carboxamide?
The canonical SMILES for N-benzyl-N-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]furan-2-carboxamide is COc1cccc(Cn2cccc2CN(Cc2ccccc2)C(=O)c2ccco2)c1.
What is the InChIKey of N-benzyl-N-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]furan-2-carboxamide?
The InChIKey is UPJGEWOZERFILT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O3/c1-29-23-12-5-10-21(16-23)18-26-14-6-11-22(26)19-27(17-20-8-3-2-4-9-20)25(28)24-13-7-15-30-24/h2-16H,17-19H2,1H3.
What are the key properties of N-benzyl-N-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]furan-2-carboxamide?
N-benzyl-N-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]furan-2-carboxamide has a molecular weight of 400.48 g/mol, XLogP of 4.98, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]furan-2-carboxamide is sourced from PubChem (CID 4554266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).