N-[[4-(dimethylamino)phenyl]methyl]-N-[3-(furan-2-yl)-3-phenylpropyl]acetamide

C24H28N2O2 — CID 3737857

IUPACN-[[4-(dimethylamino)phenyl]methyl]-N-[3-(furan-2-yl)-3-phenylpropyl]acetamide
SMILESCC(=O)N(CCC(c1ccccc1)c1ccco1)Cc1ccc(N(C)C)cc1
InChIInChI=1S/C24H28N2O2/c1-19(27)26(18-20-11-13-22(14-12-20)25(2)3)16-15-23(24-10-7-17-28-24)21-8-5-4-6-9-21/h4-14,17,23H,15-16,18H2,1-3H3
InChIKeyURUHSCWNIJRGSB-UHFFFAOYSA-N
MW376.50 g/mol
LogP4.92
Rot. Bonds8

About N-[[4-(dimethylamino)phenyl]methyl]-N-[3-(furan-2-yl)-3-phenylpropyl]acetamide

N-[[4-(dimethylamino)phenyl]methyl]-N-[3-(furan-2-yl)-3-phenylpropyl]acetamide (PubChem CID 3737857) has the molecular formula C24H28N2O2 and a molecular weight of 376.50 g/mol. Its IUPAC name is N-[[4-(dimethylamino)phenyl]methyl]-N-[3-(furan-2-yl)-3-phenylpropyl]acetamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)phenyl]methyl]-N-[3-(furan-2-yl)-3-phenylpropyl]acetamide
PubChem CID3737857
Molecular FormulaC24H28N2O2
Molecular Weight376.50 g/mol
Exact Mass376.22
IUPAC NameN-[[4-(dimethylamino)phenyl]methyl]-N-[3-(furan-2-yl)-3-phenylpropyl]acetamide
SMILESCC(=O)N(CCC(c1ccccc1)c1ccco1)Cc1ccc(N(C)C)cc1
InChIInChI=1S/C24H28N2O2/c1-19(27)26(18-20-11-13-22(14-12-20)25(2)3)16-15-23(24-10-7-17-28-24)21-8-5-4-6-9-21/h4-14,17,23H,15-16,18H2,1-3H3
InChIKeyURUHSCWNIJRGSB-UHFFFAOYSA-N
XLogP4.92
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-N-[3-(furan-2-yl)-3-phenylpropyl]acetamide?
The IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-N-[3-(furan-2-yl)-3-phenylpropyl]acetamide (CID 3737857) is N-[[4-(dimethylamino)phenyl]methyl]-N-[3-(furan-2-yl)-3-phenylpropyl]acetamide.
What is the SMILES notation for N-[[4-(dimethylamino)phenyl]methyl]-N-[3-(furan-2-yl)-3-phenylpropyl]acetamide?
The canonical SMILES for N-[[4-(dimethylamino)phenyl]methyl]-N-[3-(furan-2-yl)-3-phenylpropyl]acetamide is CC(=O)N(CCC(c1ccccc1)c1ccco1)Cc1ccc(N(C)C)cc1.
What is the InChIKey of N-[[4-(dimethylamino)phenyl]methyl]-N-[3-(furan-2-yl)-3-phenylpropyl]acetamide?
The InChIKey is URUHSCWNIJRGSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O2/c1-19(27)26(18-20-11-13-22(14-12-20)25(2)3)16-15-23(24-10-7-17-28-24)21-8-5-4-6-9-21/h4-14,17,23H,15-16,18H2,1-3H3.
What are the key properties of N-[[4-(dimethylamino)phenyl]methyl]-N-[3-(furan-2-yl)-3-phenylpropyl]acetamide?
N-[[4-(dimethylamino)phenyl]methyl]-N-[3-(furan-2-yl)-3-phenylpropyl]acetamide has a molecular weight of 376.50 g/mol, XLogP of 4.92, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)phenyl]methyl]-N-[3-(furan-2-yl)-3-phenylpropyl]acetamide is sourced from PubChem (CID 3737857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).