2-[3-[3-[[2-(4-hydroxyphenyl)ethylamino]methyl]phenyl]phenyl]-N-(2-pyrrolidin-1-ylethyl)acetamide

C29H35N3O2 — CID 139963138

IUPAC2-[3-[3-[[2-(4-hydroxyphenyl)ethylamino]methyl]phenyl]phenyl]-N-(2-pyrrolidin-1-ylethyl)acetamide
SMILESO=C(Cc1cccc(-c2cccc(CNCCc3ccc(O)cc3)c2)c1)NCCN1CCCC1
InChIInChI=1S/C29H35N3O2/c33-28-11-9-23(10-12-28)13-14-30-22-25-6-4-8-27(20-25)26-7-3-5-24(19-26)21-29(34)31-15-18-32-16-1-2-17-32/h3-12,19-20,30,33H,1-2,13-18,21-22H2,(H,31,34)
InChIKeySVWYWHQJLJSADQ-UHFFFAOYSA-N
MW457.62 g/mol
LogP4.15
Rot. Bonds11

About 2-[3-[3-[[2-(4-hydroxyphenyl)ethylamino]methyl]phenyl]phenyl]-N-(2-pyrrolidin-1-ylethyl)acetamide

2-[3-[3-[[2-(4-hydroxyphenyl)ethylamino]methyl]phenyl]phenyl]-N-(2-pyrrolidin-1-ylethyl)acetamide (PubChem CID 139963138) has the molecular formula C29H35N3O2 and a molecular weight of 457.62 g/mol. Its IUPAC name is 2-[3-[3-[[2-(4-hydroxyphenyl)ethylamino]methyl]phenyl]phenyl]-N-(2-pyrrolidin-1-ylethyl)acetamide.

Molecular Properties

Compound Name2-[3-[3-[[2-(4-hydroxyphenyl)ethylamino]methyl]phenyl]phenyl]-N-(2-pyrrolidin-1-ylethyl)acetamide
PubChem CID139963138
Molecular FormulaC29H35N3O2
Molecular Weight457.62 g/mol
Exact Mass457.27
IUPAC Name2-[3-[3-[[2-(4-hydroxyphenyl)ethylamino]methyl]phenyl]phenyl]-N-(2-pyrrolidin-1-ylethyl)acetamide
SMILESO=C(Cc1cccc(-c2cccc(CNCCc3ccc(O)cc3)c2)c1)NCCN1CCCC1
InChIInChI=1S/C29H35N3O2/c33-28-11-9-23(10-12-28)13-14-30-22-25-6-4-8-27(20-25)26-7-3-5-24(19-26)21-29(34)31-15-18-32-16-1-2-17-32/h3-12,19-20,30,33H,1-2,13-18,21-22H2,(H,31,34)
InChIKeySVWYWHQJLJSADQ-UHFFFAOYSA-N
XLogP4.15
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.62
LogP ≤ 54.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-pyrrolidin-1-ylethyl)-2-[3-[3-[[2-(4-sulfamoylphenyl)ethylamino]methyl]phenyl]phenyl]acetamide;dihydrochloride
CID 139963174
N-(2-pyrrolidin-1-ylethyl)-2-[3-[[2-(4-sulfamoylphenyl)ethylamino]methyl]phenyl]pyridine-4-carboxamide
CID 139963160
2-phenyl-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 975347
2-(3-hydroxyphenyl)-N-(3-pyrrolidin-1-ylpropyl)acetamide
CID 62992551
2-(3-aminophenyl)-N-(2-piperidin-1-ylethyl)acetamide
CID 62500018
N-hydroxy-5-[3-[(2-piperidin-1-ylethylamino)methyl]phenyl]thiophene-2-carboxamide
CID 58924448
N-[[3-[3-[2-oxo-2-(2-pyrrolidin-1-ylethylamino)ethyl]phenyl]phenyl]methyl]-4-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]butanamide;hydrochloride
CID 139963132
2-(4-hydroxyphenyl)-N-(2-morpholin-4-ylethyl)acetamide
CID 78823248
4-[2-[[3-[3-(2-pyrrolidin-1-ylethoxy)phenyl]phenyl]methylamino]ethyl]benzenesulfonamide;dihydrochloride
CID 139963149
N'-[(3-bromophenyl)methyl]-N-(2-pyrrolidin-1-ylethyl)butanediamide
CID 3886660
N-(2-piperidin-1-ylethyl)-2-[4-[[3-(trifluoromethyl)phenyl]methylamino]phenyl]acetamide
CID 42852643
N-[2-(4-hydroxyphenyl)ethyl]-2-phenylacetamide
CID 11857553

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-[[2-(4-hydroxyphenyl)ethylamino]methyl]phenyl]phenyl]-N-(2-pyrrolidin-1-ylethyl)acetamide?
The IUPAC name of 2-[3-[3-[[2-(4-hydroxyphenyl)ethylamino]methyl]phenyl]phenyl]-N-(2-pyrrolidin-1-ylethyl)acetamide (CID 139963138) is 2-[3-[3-[[2-(4-hydroxyphenyl)ethylamino]methyl]phenyl]phenyl]-N-(2-pyrrolidin-1-ylethyl)acetamide.
What is the SMILES notation for 2-[3-[3-[[2-(4-hydroxyphenyl)ethylamino]methyl]phenyl]phenyl]-N-(2-pyrrolidin-1-ylethyl)acetamide?
The canonical SMILES for 2-[3-[3-[[2-(4-hydroxyphenyl)ethylamino]methyl]phenyl]phenyl]-N-(2-pyrrolidin-1-ylethyl)acetamide is O=C(Cc1cccc(-c2cccc(CNCCc3ccc(O)cc3)c2)c1)NCCN1CCCC1.
What is the InChIKey of 2-[3-[3-[[2-(4-hydroxyphenyl)ethylamino]methyl]phenyl]phenyl]-N-(2-pyrrolidin-1-ylethyl)acetamide?
The InChIKey is SVWYWHQJLJSADQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N3O2/c33-28-11-9-23(10-12-28)13-14-30-22-25-6-4-8-27(20-25)26-7-3-5-24(19-26)21-29(34)31-15-18-32-16-1-2-17-32/h3-12,19-20,30,33H,1-2,13-18,21-22H2,(H,31,34).
What are the key properties of 2-[3-[3-[[2-(4-hydroxyphenyl)ethylamino]methyl]phenyl]phenyl]-N-(2-pyrrolidin-1-ylethyl)acetamide?
2-[3-[3-[[2-(4-hydroxyphenyl)ethylamino]methyl]phenyl]phenyl]-N-(2-pyrrolidin-1-ylethyl)acetamide has a molecular weight of 457.62 g/mol, XLogP of 4.15, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-[[2-(4-hydroxyphenyl)ethylamino]methyl]phenyl]phenyl]-N-(2-pyrrolidin-1-ylethyl)acetamide is sourced from PubChem (CID 139963138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).