4-butyl-N-(furan-2-ylmethyl)-N-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]benzamide

C29H32N2O2 — CID 3980417

IUPAC4-butyl-N-(furan-2-ylmethyl)-N-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]benzamide
SMILESCCCCc1ccc(C(=O)N(Cc2ccco2)Cc2cccn2Cc2ccc(C)cc2)cc1
InChIInChI=1S/C29H32N2O2/c1-3-4-7-24-14-16-26(17-15-24)29(32)31(22-28-9-6-19-33-28)21-27-8-5-18-30(27)20-25-12-10-23(2)11-13-25/h5-6,8-19H,3-4,7,20-22H2,1-2H3
InChIKeyGALQMJRIGNXLLO-UHFFFAOYSA-N
MW440.59 g/mol
LogP6.62
Rot. Bonds10

About 4-butyl-N-(furan-2-ylmethyl)-N-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]benzamide

4-butyl-N-(furan-2-ylmethyl)-N-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]benzamide (PubChem CID 3980417) has the molecular formula C29H32N2O2 and a molecular weight of 440.59 g/mol. Its IUPAC name is 4-butyl-N-(furan-2-ylmethyl)-N-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]benzamide.

Molecular Properties

Compound Name4-butyl-N-(furan-2-ylmethyl)-N-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]benzamide
PubChem CID3980417
Molecular FormulaC29H32N2O2
Molecular Weight440.59 g/mol
Exact Mass440.25
IUPAC Name4-butyl-N-(furan-2-ylmethyl)-N-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]benzamide
SMILESCCCCc1ccc(C(=O)N(Cc2ccco2)Cc2cccn2Cc2ccc(C)cc2)cc1
InChIInChI=1S/C29H32N2O2/c1-3-4-7-24-14-16-26(17-15-24)29(32)31(22-28-9-6-19-33-28)21-27-8-5-18-30(27)20-25-12-10-23(2)11-13-25/h5-6,8-19H,3-4,7,20-22H2,1-2H3
InChIKeyGALQMJRIGNXLLO-UHFFFAOYSA-N
XLogP6.62
TPSA38.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.59
LogP ≤ 56.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(furan-2-ylmethyl)-4-hexyl-N-[(1-methylpyrrol-2-yl)methyl]benzamide
CID 3936154
N-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl]-4-methyl-N-pentylbenzamide
CID 4684225
N-benzyl-N-(furan-2-ylmethyl)-4-pentylbenzamide
CID 4518534
4-butyl-N-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl]-N-prop-2-enylbenzamide
CID 5028064
N-benzyl-N-[[1-[(4-bromophenyl)methyl]pyrrol-2-yl]methyl]-4-hexylbenzamide
CID 3651231
4-methyl-N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]-N-pentylbenzamide
CID 4317196
4-butyl-N-[2-[3-(3-chloro-2-methylphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]-N-(furan-2-ylmethyl)benzamide
CID 4595439
N-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]-N-propan-2-ylfuran-2-carboxamide
CID 42762739
N-[2-[benzyl-[(1-benzylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-(2-methylpropyl)-4-pentylbenzamide
CID 4555596
N-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]-4-methyl-N-pentylbenzamide
CID 5030621
N-[(1-benzylpyrrol-2-yl)methyl]-N-(furan-2-ylmethyl)-2,2-diphenylacetamide
CID 42763625
N-[2-[benzyl(furan-2-ylmethyl)amino]-2-oxoethyl]-4-methyl-N-propylbenzamide
CID 3596156

Frequently Asked Questions

What is the IUPAC name of 4-butyl-N-(furan-2-ylmethyl)-N-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]benzamide?
The IUPAC name of 4-butyl-N-(furan-2-ylmethyl)-N-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]benzamide (CID 3980417) is 4-butyl-N-(furan-2-ylmethyl)-N-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]benzamide.
What is the SMILES notation for 4-butyl-N-(furan-2-ylmethyl)-N-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]benzamide?
The canonical SMILES for 4-butyl-N-(furan-2-ylmethyl)-N-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]benzamide is CCCCc1ccc(C(=O)N(Cc2ccco2)Cc2cccn2Cc2ccc(C)cc2)cc1.
What is the InChIKey of 4-butyl-N-(furan-2-ylmethyl)-N-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]benzamide?
The InChIKey is GALQMJRIGNXLLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N2O2/c1-3-4-7-24-14-16-26(17-15-24)29(32)31(22-28-9-6-19-33-28)21-27-8-5-18-30(27)20-25-12-10-23(2)11-13-25/h5-6,8-19H,3-4,7,20-22H2,1-2H3.
What are the key properties of 4-butyl-N-(furan-2-ylmethyl)-N-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]benzamide?
4-butyl-N-(furan-2-ylmethyl)-N-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]benzamide has a molecular weight of 440.59 g/mol, XLogP of 6.62, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-N-(furan-2-ylmethyl)-N-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]benzamide is sourced from PubChem (CID 3980417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).