3-[4-[3-[1-benzofuran-2-ylmethyl(2,2-diphenylethyl)amino]propoxy]phenyl]propanamide

C35H36N2O3 — CID 10165483

IUPAC3-[4-[3-[1-benzofuran-2-ylmethyl(2,2-diphenylethyl)amino]propoxy]phenyl]propanamide
SMILESNC(=O)CCc1ccc(OCCCN(Cc2cc3ccccc3o2)CC(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C35H36N2O3/c36-35(38)21-18-27-16-19-31(20-17-27)39-23-9-22-37(25-32-24-30-14-7-8-15-34(30)40-32)26-33(28-10-3-1-4-11-28)29-12-5-2-6-13-29/h1-8,10-17,19-20,24,33H,9,18,21-23,25-26H2,(H2,36,38)
InChIKeyJGYPZPJVEOPAMW-UHFFFAOYSA-N
MW532.68 g/mol
LogP6.95
Rot. Bonds14

About 3-[4-[3-[1-benzofuran-2-ylmethyl(2,2-diphenylethyl)amino]propoxy]phenyl]propanamide

3-[4-[3-[1-benzofuran-2-ylmethyl(2,2-diphenylethyl)amino]propoxy]phenyl]propanamide (PubChem CID 10165483) has the molecular formula C35H36N2O3 and a molecular weight of 532.68 g/mol. Its IUPAC name is 3-[4-[3-[1-benzofuran-2-ylmethyl(2,2-diphenylethyl)amino]propoxy]phenyl]propanamide.

Molecular Properties

Compound Name3-[4-[3-[1-benzofuran-2-ylmethyl(2,2-diphenylethyl)amino]propoxy]phenyl]propanamide
PubChem CID10165483
Molecular FormulaC35H36N2O3
Molecular Weight532.68 g/mol
Exact Mass532.27
IUPAC Name3-[4-[3-[1-benzofuran-2-ylmethyl(2,2-diphenylethyl)amino]propoxy]phenyl]propanamide
SMILESNC(=O)CCc1ccc(OCCCN(Cc2cc3ccccc3o2)CC(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C35H36N2O3/c36-35(38)21-18-27-16-19-31(20-17-27)39-23-9-22-37(25-32-24-30-14-7-8-15-34(30)40-32)26-33(28-10-3-1-4-11-28)29-12-5-2-6-13-29/h1-8,10-17,19-20,24,33H,9,18,21-23,25-26H2,(H2,36,38)
InChIKeyJGYPZPJVEOPAMW-UHFFFAOYSA-N
XLogP6.95
TPSA68.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.68
LogP ≤ 56.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[3-[2,2-diphenylethyl-[(4-methoxyphenyl)methyl]amino]propoxy]benzamide
CID 10278330
N-(1-benzofuran-2-ylmethyl)-3-(4-methoxyphenyl)-N-methylpropanamide
CID 110732927
methyl 2-[3-[3-[2,2-diphenylethyl-[(4-methoxyphenyl)methyl]amino]propoxy]phenyl]acetate
CID 10165098
3-[1-benzofuran-2-ylmethyl(ethyl)amino]propanoic acid
CID 65062614
2-[4-(3-amino-3-oxopropyl)phenoxy]acetic acid
CID 170185856
1-[2-(1-benzofuran-2-yl)ethyl]-1-hydroxyurea
CID 57051691
2-[3-[3-[2,2-diphenylethyl-[(E)-3-phenylprop-2-enyl]amino]propoxy]phenyl]acetamide
CID 10207449
N'-(1-benzofuran-2-ylmethyl)-N-[(4-methoxyphenyl)methyl]-N,N'-dimethylethane-1,2-diamine
CID 132523349
N-[(2R)-1-(1-benzofuran-2-yl)propan-2-yl]-3-(4-methoxyphenyl)propanamide
CID 124759090
2-[3-[3-[3,4-dihydro-2H-pyran-2-ylmethyl(2,2-diphenylethyl)amino]propoxy]phenyl]acetamide
CID 10116944
2-[1-benzofuran-2-ylmethyl(ethyl)amino]acetic acid
CID 65063124
3-[4-[[3-(1-benzofuran-2-yl)propanoylamino]methyl]phenyl]propanoic acid
CID 167847200

Frequently Asked Questions

What is the IUPAC name of 3-[4-[3-[1-benzofuran-2-ylmethyl(2,2-diphenylethyl)amino]propoxy]phenyl]propanamide?
The IUPAC name of 3-[4-[3-[1-benzofuran-2-ylmethyl(2,2-diphenylethyl)amino]propoxy]phenyl]propanamide (CID 10165483) is 3-[4-[3-[1-benzofuran-2-ylmethyl(2,2-diphenylethyl)amino]propoxy]phenyl]propanamide.
What is the SMILES notation for 3-[4-[3-[1-benzofuran-2-ylmethyl(2,2-diphenylethyl)amino]propoxy]phenyl]propanamide?
The canonical SMILES for 3-[4-[3-[1-benzofuran-2-ylmethyl(2,2-diphenylethyl)amino]propoxy]phenyl]propanamide is NC(=O)CCc1ccc(OCCCN(Cc2cc3ccccc3o2)CC(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 3-[4-[3-[1-benzofuran-2-ylmethyl(2,2-diphenylethyl)amino]propoxy]phenyl]propanamide?
The InChIKey is JGYPZPJVEOPAMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H36N2O3/c36-35(38)21-18-27-16-19-31(20-17-27)39-23-9-22-37(25-32-24-30-14-7-8-15-34(30)40-32)26-33(28-10-3-1-4-11-28)29-12-5-2-6-13-29/h1-8,10-17,19-20,24,33H,9,18,21-23,25-26H2,(H2,36,38).
What are the key properties of 3-[4-[3-[1-benzofuran-2-ylmethyl(2,2-diphenylethyl)amino]propoxy]phenyl]propanamide?
3-[4-[3-[1-benzofuran-2-ylmethyl(2,2-diphenylethyl)amino]propoxy]phenyl]propanamide has a molecular weight of 532.68 g/mol, XLogP of 6.95, 14 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[3-[1-benzofuran-2-ylmethyl(2,2-diphenylethyl)amino]propoxy]phenyl]propanamide is sourced from PubChem (CID 10165483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).