N-[[4-(dimethylamino)phenyl]methyl]-2-(5-ethyl-1-benzofuran-3-yl)-N-(furan-2-ylmethyl)acetamide

C26H28N2O3 — CID 18861229

IUPACN-[[4-(dimethylamino)phenyl]methyl]-2-(5-ethyl-1-benzofuran-3-yl)-N-(furan-2-ylmethyl)acetamide
SMILESCCc1ccc2occ(CC(=O)N(Cc3ccc(N(C)C)cc3)Cc3ccco3)c2c1
InChIInChI=1S/C26H28N2O3/c1-4-19-9-12-25-24(14-19)21(18-31-25)15-26(29)28(17-23-6-5-13-30-23)16-20-7-10-22(11-8-20)27(2)3/h5-14,18H,4,15-17H2,1-3H3
InChIKeyYDBHFMOQCQZSMA-UHFFFAOYSA-N
MW416.52 g/mol
LogP5.43
Rot. Bonds8

About N-[[4-(dimethylamino)phenyl]methyl]-2-(5-ethyl-1-benzofuran-3-yl)-N-(furan-2-ylmethyl)acetamide

N-[[4-(dimethylamino)phenyl]methyl]-2-(5-ethyl-1-benzofuran-3-yl)-N-(furan-2-ylmethyl)acetamide (PubChem CID 18861229) has the molecular formula C26H28N2O3 and a molecular weight of 416.52 g/mol. Its IUPAC name is N-[[4-(dimethylamino)phenyl]methyl]-2-(5-ethyl-1-benzofuran-3-yl)-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)phenyl]methyl]-2-(5-ethyl-1-benzofuran-3-yl)-N-(furan-2-ylmethyl)acetamide
PubChem CID18861229
Molecular FormulaC26H28N2O3
Molecular Weight416.52 g/mol
Exact Mass416.21
IUPAC NameN-[[4-(dimethylamino)phenyl]methyl]-2-(5-ethyl-1-benzofuran-3-yl)-N-(furan-2-ylmethyl)acetamide
SMILESCCc1ccc2occ(CC(=O)N(Cc3ccc(N(C)C)cc3)Cc3ccco3)c2c1
InChIInChI=1S/C26H28N2O3/c1-4-19-9-12-25-24(14-19)21(18-31-25)15-26(29)28(17-23-6-5-13-30-23)16-20-7-10-22(11-8-20)27(2)3/h5-14,18H,4,15-17H2,1-3H3
InChIKeyYDBHFMOQCQZSMA-UHFFFAOYSA-N
XLogP5.43
TPSA49.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.52
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-[[4-(dimethylamino)phenyl]methyl]-N-(furan-2-ylmethyl)-2-(5-methyl-1-benzofuran-3-yl)acetamide
CID 2975752
N-[(4-chlorophenyl)methyl]-2-(5-ethyl-1-benzofuran-3-yl)-N-(furan-2-ylmethyl)acetamide
CID 18861228
N-[[4-(dimethylamino)phenyl]methyl]-N-(furan-2-ylmethyl)-2-methylpropanamide
CID 39834735
N-[[4-(dimethylamino)phenyl]methyl]-N-(furan-2-ylmethyl)dodecanamide
CID 42707913
N-benzyl-N-(furan-2-ylmethyl)-2-(6-methoxy-1-benzofuran-3-yl)acetamide
CID 37429418
N-[[4-(dimethylamino)phenyl]methyl]-N-(furan-2-ylmethyl)-2,2-dimethylpropanamide
CID 770757
N-benzyl-2-(5-ethyl-1-benzofuran-3-yl)-N-(4-methoxyphenyl)acetamide
CID 18861230
2-(5-ethyl-1-benzofuran-3-yl)acetamide
CID 18872501
N-benzyl-N-(furan-2-ylmethyl)-2-naphthalen-1-ylacetamide
CID 18830847
N,N-diethyl-2-(5-methyl-1-benzofuran-3-yl)acetamide
CID 110488649
6-ethyl-N-(furan-2-ylmethyl)-4-oxo-N-(thiophen-2-ylmethyl)chromene-2-carboxamide
CID 35181644
2-(3,4-dichlorophenyl)-N,N-bis(furan-2-ylmethyl)acetamide
CID 112767070

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-2-(5-ethyl-1-benzofuran-3-yl)-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-2-(5-ethyl-1-benzofuran-3-yl)-N-(furan-2-ylmethyl)acetamide (CID 18861229) is N-[[4-(dimethylamino)phenyl]methyl]-2-(5-ethyl-1-benzofuran-3-yl)-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for N-[[4-(dimethylamino)phenyl]methyl]-2-(5-ethyl-1-benzofuran-3-yl)-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for N-[[4-(dimethylamino)phenyl]methyl]-2-(5-ethyl-1-benzofuran-3-yl)-N-(furan-2-ylmethyl)acetamide is CCc1ccc2occ(CC(=O)N(Cc3ccc(N(C)C)cc3)Cc3ccco3)c2c1.
What is the InChIKey of N-[[4-(dimethylamino)phenyl]methyl]-2-(5-ethyl-1-benzofuran-3-yl)-N-(furan-2-ylmethyl)acetamide?
The InChIKey is YDBHFMOQCQZSMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O3/c1-4-19-9-12-25-24(14-19)21(18-31-25)15-26(29)28(17-23-6-5-13-30-23)16-20-7-10-22(11-8-20)27(2)3/h5-14,18H,4,15-17H2,1-3H3.
What are the key properties of N-[[4-(dimethylamino)phenyl]methyl]-2-(5-ethyl-1-benzofuran-3-yl)-N-(furan-2-ylmethyl)acetamide?
N-[[4-(dimethylamino)phenyl]methyl]-2-(5-ethyl-1-benzofuran-3-yl)-N-(furan-2-ylmethyl)acetamide has a molecular weight of 416.52 g/mol, XLogP of 5.43, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)phenyl]methyl]-2-(5-ethyl-1-benzofuran-3-yl)-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 18861229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).