N-[4-[3-[acetyl(methyl)amino]pyrrolidin-1-yl]phenyl]-2-[4-(2-methylpropoxy)phenyl]acetamide

C25H33N3O3 — CID 58867261

IUPACN-[4-[3-[acetyl(methyl)amino]pyrrolidin-1-yl]phenyl]-2-[4-(2-methylpropoxy)phenyl]acetamide
SMILESCC(=O)N(C)C1CCN(c2ccc(NC(=O)Cc3ccc(OCC(C)C)cc3)cc2)C1
InChIInChI=1S/C25H33N3O3/c1-18(2)17-31-24-11-5-20(6-12-24)15-25(30)26-21-7-9-22(10-8-21)28-14-13-23(16-28)27(4)19(3)29/h5-12,18,23H,13-17H2,1-4H3,(H,26,30)
InChIKeyJNEJSZMVFOQBEM-UHFFFAOYSA-N
MW423.56 g/mol
LogP3.96
Rot. Bonds8

About N-[4-[3-[acetyl(methyl)amino]pyrrolidin-1-yl]phenyl]-2-[4-(2-methylpropoxy)phenyl]acetamide

N-[4-[3-[acetyl(methyl)amino]pyrrolidin-1-yl]phenyl]-2-[4-(2-methylpropoxy)phenyl]acetamide (PubChem CID 58867261) has the molecular formula C25H33N3O3 and a molecular weight of 423.56 g/mol. Its IUPAC name is N-[4-[3-[acetyl(methyl)amino]pyrrolidin-1-yl]phenyl]-2-[4-(2-methylpropoxy)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[3-[acetyl(methyl)amino]pyrrolidin-1-yl]phenyl]-2-[4-(2-methylpropoxy)phenyl]acetamide
PubChem CID58867261
Molecular FormulaC25H33N3O3
Molecular Weight423.56 g/mol
Exact Mass423.25
IUPAC NameN-[4-[3-[acetyl(methyl)amino]pyrrolidin-1-yl]phenyl]-2-[4-(2-methylpropoxy)phenyl]acetamide
SMILESCC(=O)N(C)C1CCN(c2ccc(NC(=O)Cc3ccc(OCC(C)C)cc3)cc2)C1
InChIInChI=1S/C25H33N3O3/c1-18(2)17-31-24-11-5-20(6-12-24)15-25(30)26-21-7-9-22(10-8-21)28-14-13-23(16-28)27(4)19(3)29/h5-12,18,23H,13-17H2,1-4H3,(H,26,30)
InChIKeyJNEJSZMVFOQBEM-UHFFFAOYSA-N
XLogP3.96
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.56
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-[3-[acetyl(methyl)amino]pyrrolidin-1-yl]phenyl]-4-but-3-enoxybenzamide
CID 58867337
N-[4-[2-[acetyl(methyl)amino]ethyl-ethylamino]phenyl]-2-[4-(2-methylpropoxy)phenyl]acetamide
CID 142931797
N-[4-[3-(cyclohexylamino)pyrrolidin-1-yl]phenyl]-4-(2-methylpropoxy)benzamide
CID 21105605
N-[4-[3-[acetyl(methyl)amino]pyrrolidin-1-yl]phenyl]-4-(4-methylphenoxy)piperidine-1-carboxamide
CID 58867051
N-[4-[3-[acetyl(methyl)amino]pyrrolidin-1-yl]phenyl]-2-[4-(4-chlorophenyl)piperidin-1-yl]acetamide
CID 58867616
2-chloro-N-[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]phenyl]acetamide
CID 67147914
2-(4-ethylphenoxy)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide
CID 21234810
2-(4-acetamidophenyl)-N-[4-(3-methoxypiperidin-1-yl)phenyl]acetamide
CID 121141569
N-[4-[3-[acetyl(methyl)amino]pyrrolidin-1-yl]phenyl]-5-phenylmethoxy-1H-indole-2-carboxamide
CID 58867393
2-cyclopentyl-N-[4-(2-methylpropoxy)phenyl]acetamide
CID 54786144
N-[[4-(4-methylpiperidin-1-yl)phenyl]carbamothioyl]-4-(2-methylpropoxy)benzamide
CID 22778353
2-[[4-[[2-[4-(2-methylpropoxy)phenyl]acetyl]amino]benzoyl]amino]acetic acid
CID 119220369

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-[acetyl(methyl)amino]pyrrolidin-1-yl]phenyl]-2-[4-(2-methylpropoxy)phenyl]acetamide?
The IUPAC name of N-[4-[3-[acetyl(methyl)amino]pyrrolidin-1-yl]phenyl]-2-[4-(2-methylpropoxy)phenyl]acetamide (CID 58867261) is N-[4-[3-[acetyl(methyl)amino]pyrrolidin-1-yl]phenyl]-2-[4-(2-methylpropoxy)phenyl]acetamide.
What is the SMILES notation for N-[4-[3-[acetyl(methyl)amino]pyrrolidin-1-yl]phenyl]-2-[4-(2-methylpropoxy)phenyl]acetamide?
The canonical SMILES for N-[4-[3-[acetyl(methyl)amino]pyrrolidin-1-yl]phenyl]-2-[4-(2-methylpropoxy)phenyl]acetamide is CC(=O)N(C)C1CCN(c2ccc(NC(=O)Cc3ccc(OCC(C)C)cc3)cc2)C1.
What is the InChIKey of N-[4-[3-[acetyl(methyl)amino]pyrrolidin-1-yl]phenyl]-2-[4-(2-methylpropoxy)phenyl]acetamide?
The InChIKey is JNEJSZMVFOQBEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O3/c1-18(2)17-31-24-11-5-20(6-12-24)15-25(30)26-21-7-9-22(10-8-21)28-14-13-23(16-28)27(4)19(3)29/h5-12,18,23H,13-17H2,1-4H3,(H,26,30).
What are the key properties of N-[4-[3-[acetyl(methyl)amino]pyrrolidin-1-yl]phenyl]-2-[4-(2-methylpropoxy)phenyl]acetamide?
N-[4-[3-[acetyl(methyl)amino]pyrrolidin-1-yl]phenyl]-2-[4-(2-methylpropoxy)phenyl]acetamide has a molecular weight of 423.56 g/mol, XLogP of 3.96, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-[acetyl(methyl)amino]pyrrolidin-1-yl]phenyl]-2-[4-(2-methylpropoxy)phenyl]acetamide is sourced from PubChem (CID 58867261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).