N-[4-[(4-acetamidophenoxy)-[1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidin-2-yl]phosphoryl]oxyphenyl]acetamide

C25H31N4O6P — CID 54573912

IUPACN-[4-[(4-acetamidophenoxy)-[1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidin-2-yl]phosphoryl]oxyphenyl]acetamide
SMILESCC(=O)Nc1ccc(OP(=O)(Oc2ccc(NC(C)=O)cc2)C2CCCN2C(=O)[C@@H]2CCCN2)cc1
InChIInChI=1S/C25H31N4O6P/c1-17(30)27-19-7-11-21(12-8-19)34-36(33,35-22-13-9-20(10-14-22)28-18(2)31)24-6-4-16-29(24)25(32)23-5-3-15-26-23/h7-14,23-24,26H,3-6,15-16H2,1-2H3,(H,27,30)(H,28,31)/t23-,24?/m0/s1
InChIKeyZZFRSAFCNPHDAO-UXMRNZNESA-N
MW514.52 g/mol
LogP3.95
Rot. Bonds8

About N-[4-[(4-acetamidophenoxy)-[1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidin-2-yl]phosphoryl]oxyphenyl]acetamide

N-[4-[(4-acetamidophenoxy)-[1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidin-2-yl]phosphoryl]oxyphenyl]acetamide (PubChem CID 54573912) has the molecular formula C25H31N4O6P and a molecular weight of 514.52 g/mol. Its IUPAC name is N-[4-[(4-acetamidophenoxy)-[1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidin-2-yl]phosphoryl]oxyphenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(4-acetamidophenoxy)-[1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidin-2-yl]phosphoryl]oxyphenyl]acetamide
PubChem CID54573912
Molecular FormulaC25H31N4O6P
Molecular Weight514.52 g/mol
Exact Mass514.20
IUPAC NameN-[4-[(4-acetamidophenoxy)-[1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidin-2-yl]phosphoryl]oxyphenyl]acetamide
SMILESCC(=O)Nc1ccc(OP(=O)(Oc2ccc(NC(C)=O)cc2)C2CCCN2C(=O)[C@@H]2CCCN2)cc1
InChIInChI=1S/C25H31N4O6P/c1-17(30)27-19-7-11-21(12-8-19)34-36(33,35-22-13-9-20(10-14-22)28-18(2)31)24-6-4-16-29(24)25(32)23-5-3-15-26-23/h7-14,23-24,26H,3-6,15-16H2,1-2H3,(H,27,30)(H,28,31)/t23-,24?/m0/s1
InChIKeyZZFRSAFCNPHDAO-UXMRNZNESA-N
XLogP3.95
TPSA126.07 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.52
LogP ≤ 53.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-[4-[(4-acetamidophenoxy)-[1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidin-2-yl]phosphoryl]oxyphenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-acetamidophenoxy)-[1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidin-2-yl]phosphoryl]oxyphenyl]acetamide?
The IUPAC name of N-[4-[(4-acetamidophenoxy)-[1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidin-2-yl]phosphoryl]oxyphenyl]acetamide (CID 54573912) is N-[4-[(4-acetamidophenoxy)-[1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidin-2-yl]phosphoryl]oxyphenyl]acetamide.
What is the SMILES notation for N-[4-[(4-acetamidophenoxy)-[1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidin-2-yl]phosphoryl]oxyphenyl]acetamide?
The canonical SMILES for N-[4-[(4-acetamidophenoxy)-[1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidin-2-yl]phosphoryl]oxyphenyl]acetamide is CC(=O)Nc1ccc(OP(=O)(Oc2ccc(NC(C)=O)cc2)C2CCCN2C(=O)[C@@H]2CCCN2)cc1.
What is the InChIKey of N-[4-[(4-acetamidophenoxy)-[1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidin-2-yl]phosphoryl]oxyphenyl]acetamide?
The InChIKey is ZZFRSAFCNPHDAO-UXMRNZNESA-N. The full InChI is InChI=1S/C25H31N4O6P/c1-17(30)27-19-7-11-21(12-8-19)34-36(33,35-22-13-9-20(10-14-22)28-18(2)31)24-6-4-16-29(24)25(32)23-5-3-15-26-23/h7-14,23-24,26H,3-6,15-16H2,1-2H3,(H,27,30)(H,28,31)/t23-,24?/m0/s1.
What are the key properties of N-[4-[(4-acetamidophenoxy)-[1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidin-2-yl]phosphoryl]oxyphenyl]acetamide?
N-[4-[(4-acetamidophenoxy)-[1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidin-2-yl]phosphoryl]oxyphenyl]acetamide has a molecular weight of 514.52 g/mol, XLogP of 3.95, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-acetamidophenoxy)-[1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidin-2-yl]phosphoryl]oxyphenyl]acetamide is sourced from PubChem (CID 54573912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).