N-[(1-benzylpyrrol-2-yl)methyl]-N-(furan-2-ylmethyl)-2,2-diphenylacetamide

C31H28N2O2 — CID 42763625

IUPACN-[(1-benzylpyrrol-2-yl)methyl]-N-(furan-2-ylmethyl)-2,2-diphenylacetamide
SMILESO=C(C(c1ccccc1)c1ccccc1)N(Cc1ccco1)Cc1cccn1Cc1ccccc1
InChIInChI=1S/C31H28N2O2/c34-31(30(26-14-6-2-7-15-26)27-16-8-3-9-17-27)33(24-29-19-11-21-35-29)23-28-18-10-20-32(28)22-25-12-4-1-5-13-25/h1-21,30H,22-24H2
InChIKeyLKPCJHLCFQBHHA-UHFFFAOYSA-N
MW460.58 g/mol
LogP6.49
Rot. Bonds9

About N-[(1-benzylpyrrol-2-yl)methyl]-N-(furan-2-ylmethyl)-2,2-diphenylacetamide

N-[(1-benzylpyrrol-2-yl)methyl]-N-(furan-2-ylmethyl)-2,2-diphenylacetamide (PubChem CID 42763625) has the molecular formula C31H28N2O2 and a molecular weight of 460.58 g/mol. Its IUPAC name is N-[(1-benzylpyrrol-2-yl)methyl]-N-(furan-2-ylmethyl)-2,2-diphenylacetamide.

Molecular Properties

Compound NameN-[(1-benzylpyrrol-2-yl)methyl]-N-(furan-2-ylmethyl)-2,2-diphenylacetamide
PubChem CID42763625
Molecular FormulaC31H28N2O2
Molecular Weight460.58 g/mol
Exact Mass460.22
IUPAC NameN-[(1-benzylpyrrol-2-yl)methyl]-N-(furan-2-ylmethyl)-2,2-diphenylacetamide
SMILESO=C(C(c1ccccc1)c1ccccc1)N(Cc1ccco1)Cc1cccn1Cc1ccccc1
InChIInChI=1S/C31H28N2O2/c34-31(30(26-14-6-2-7-15-26)27-16-8-3-9-17-27)33(24-29-19-11-21-35-29)23-28-18-10-20-32(28)22-25-12-4-1-5-13-25/h1-21,30H,22-24H2
InChIKeyLKPCJHLCFQBHHA-UHFFFAOYSA-N
XLogP6.49
TPSA38.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.58
LogP ≤ 56.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-benzylpyrrol-2-yl)methyl]-N-(furan-2-ylmethyl)cyclohexanecarboxamide
CID 42763616
N-[(1-benzylpyrrol-2-yl)methyl]-N-propan-2-ylfuran-2-carboxamide
CID 810205
N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-2,2-diphenyl-N-prop-2-enylacetamide
CID 3428555
(2R)-N-[(1-benzylpyrrol-2-yl)methyl]-2-chloro-N-(2-methylpropyl)-2-phenylacetamide
CID 7237278
N-butyl-N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-2,2-diphenylacetamide
CID 3442651
N-[(1-benzylpyrrol-2-yl)methyl]-2-phenyl-N-propylbutanamide
CID 4545612
N-(furan-2-ylmethyl)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2,2-diphenylacetamide
CID 19244117
4-butyl-N-(furan-2-ylmethyl)-N-[[1-[(4-methylphenyl)methyl]pyrrol-2-yl]methyl]benzamide
CID 3980417
N-[2-[(1-benzylpyrrol-2-yl)methyl-propan-2-ylamino]-2-oxoethyl]-N-propan-2-ylfuran-2-carboxamide
CID 42776763
N-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-2,2-diphenyl-N-prop-2-enylacetamide
CID 3359020
N-[[1-[(3-chlorophenyl)methyl]pyrrol-2-yl]methyl]-N-(3-methylbutan-2-yl)-2,2-diphenylacetamide
CID 3937761
N-benzyl-2-chloro-N-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]-2-phenylacetamide
CID 3646674

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylpyrrol-2-yl)methyl]-N-(furan-2-ylmethyl)-2,2-diphenylacetamide?
The IUPAC name of N-[(1-benzylpyrrol-2-yl)methyl]-N-(furan-2-ylmethyl)-2,2-diphenylacetamide (CID 42763625) is N-[(1-benzylpyrrol-2-yl)methyl]-N-(furan-2-ylmethyl)-2,2-diphenylacetamide.
What is the SMILES notation for N-[(1-benzylpyrrol-2-yl)methyl]-N-(furan-2-ylmethyl)-2,2-diphenylacetamide?
The canonical SMILES for N-[(1-benzylpyrrol-2-yl)methyl]-N-(furan-2-ylmethyl)-2,2-diphenylacetamide is O=C(C(c1ccccc1)c1ccccc1)N(Cc1ccco1)Cc1cccn1Cc1ccccc1.
What is the InChIKey of N-[(1-benzylpyrrol-2-yl)methyl]-N-(furan-2-ylmethyl)-2,2-diphenylacetamide?
The InChIKey is LKPCJHLCFQBHHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28N2O2/c34-31(30(26-14-6-2-7-15-26)27-16-8-3-9-17-27)33(24-29-19-11-21-35-29)23-28-18-10-20-32(28)22-25-12-4-1-5-13-25/h1-21,30H,22-24H2.
What are the key properties of N-[(1-benzylpyrrol-2-yl)methyl]-N-(furan-2-ylmethyl)-2,2-diphenylacetamide?
N-[(1-benzylpyrrol-2-yl)methyl]-N-(furan-2-ylmethyl)-2,2-diphenylacetamide has a molecular weight of 460.58 g/mol, XLogP of 6.49, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylpyrrol-2-yl)methyl]-N-(furan-2-ylmethyl)-2,2-diphenylacetamide is sourced from PubChem (CID 42763625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).