N-[3-[(3-acetamidophenyl)-[3-(2-oxopropyl)phenyl]phosphoryl]phenyl]acetamide

C25H25N2O4P — CID 160994901

IUPACN-[3-[(3-acetamidophenyl)-[3-(2-oxopropyl)phenyl]phosphoryl]phenyl]acetamide
SMILESCC(=O)Cc1cccc(P(=O)(c2cccc(NC(C)=O)c2)c2cccc(NC(C)=O)c2)c1
InChIInChI=1S/C25H25N2O4P/c1-17(28)13-20-7-4-10-23(14-20)32(31,24-11-5-8-21(15-24)26-18(2)29)25-12-6-9-22(16-25)27-19(3)30/h4-12,14-16H,13H2,1-3H3,(H,26,29)(H,27,30)
InChIKeyWJAHPHGKIXUNBE-UHFFFAOYSA-N
MW448.46 g/mol
LogP3.37
Rot. Bonds7

About N-[3-[(3-acetamidophenyl)-[3-(2-oxopropyl)phenyl]phosphoryl]phenyl]acetamide

N-[3-[(3-acetamidophenyl)-[3-(2-oxopropyl)phenyl]phosphoryl]phenyl]acetamide (PubChem CID 160994901) has the molecular formula C25H25N2O4P and a molecular weight of 448.46 g/mol. Its IUPAC name is N-[3-[(3-acetamidophenyl)-[3-(2-oxopropyl)phenyl]phosphoryl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[(3-acetamidophenyl)-[3-(2-oxopropyl)phenyl]phosphoryl]phenyl]acetamide
PubChem CID160994901
Molecular FormulaC25H25N2O4P
Molecular Weight448.46 g/mol
Exact Mass448.16
IUPAC NameN-[3-[(3-acetamidophenyl)-[3-(2-oxopropyl)phenyl]phosphoryl]phenyl]acetamide
SMILESCC(=O)Cc1cccc(P(=O)(c2cccc(NC(C)=O)c2)c2cccc(NC(C)=O)c2)c1
InChIInChI=1S/C25H25N2O4P/c1-17(28)13-20-7-4-10-23(14-20)32(31,24-11-5-8-21(15-24)26-18(2)29)25-12-6-9-22(16-25)27-19(3)30/h4-12,14-16H,13H2,1-3H3,(H,26,29)(H,27,30)
InChIKeyWJAHPHGKIXUNBE-UHFFFAOYSA-N
XLogP3.37
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.46
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(sulfanylmethyl)phenyl]acetamide
CID 17308
1-(3-acetylphenyl)propan-2-one
CID 12950417
N-[3-(aminomethyl)phenyl]acetamide;hydrochloride
CID 2760945
N-(3-acetamidophenyl)-4-[(2-phenylacetyl)amino]benzamide
CID 17119477
N-[3-(ethylaminomethyl)phenyl]acetamide
CID 43601248
3-N-(3-acetamidophenyl)-1-N-propylbenzene-1,3-dicarboxamide
CID 109050420
3-acetamido-N-ethylbenzamide
CID 17230670
N-[3-(propan-2-ylsulfinylmethyl)phenyl]acetamide
CID 89451371
1-[3-(2-phenylethylamino)phenyl]propan-2-one
CID 69386114
N-[3-bis(3-acetamidophenyl)phosphorylphenyl]acetamide;1-bis(4-fluorophenyl)phosphoryl-4-fluorobenzene;1-diphenylphosphoryl-4-phenylbenzene;2-diphenylphosphoryl-1,3,5-trimethylbenzene;1-phenyl-4-[phenyl-(4-phenylphenyl)phosphoryl]benzene;1,3,5-trimethyl-2-[phenyl-(2,4,6-trimethylphenyl)phosphoryl]benzene
CID 161158863
N-[3-[(4-acetamidophenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 51179863
3-acetamido-N-[(3-bromophenyl)methyl]benzamide
CID 127116055

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3-acetamidophenyl)-[3-(2-oxopropyl)phenyl]phosphoryl]phenyl]acetamide?
The IUPAC name of N-[3-[(3-acetamidophenyl)-[3-(2-oxopropyl)phenyl]phosphoryl]phenyl]acetamide (CID 160994901) is N-[3-[(3-acetamidophenyl)-[3-(2-oxopropyl)phenyl]phosphoryl]phenyl]acetamide.
What is the SMILES notation for N-[3-[(3-acetamidophenyl)-[3-(2-oxopropyl)phenyl]phosphoryl]phenyl]acetamide?
The canonical SMILES for N-[3-[(3-acetamidophenyl)-[3-(2-oxopropyl)phenyl]phosphoryl]phenyl]acetamide is CC(=O)Cc1cccc(P(=O)(c2cccc(NC(C)=O)c2)c2cccc(NC(C)=O)c2)c1.
What is the InChIKey of N-[3-[(3-acetamidophenyl)-[3-(2-oxopropyl)phenyl]phosphoryl]phenyl]acetamide?
The InChIKey is WJAHPHGKIXUNBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N2O4P/c1-17(28)13-20-7-4-10-23(14-20)32(31,24-11-5-8-21(15-24)26-18(2)29)25-12-6-9-22(16-25)27-19(3)30/h4-12,14-16H,13H2,1-3H3,(H,26,29)(H,27,30).
What are the key properties of N-[3-[(3-acetamidophenyl)-[3-(2-oxopropyl)phenyl]phosphoryl]phenyl]acetamide?
N-[3-[(3-acetamidophenyl)-[3-(2-oxopropyl)phenyl]phosphoryl]phenyl]acetamide has a molecular weight of 448.46 g/mol, XLogP of 3.37, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3-acetamidophenyl)-[3-(2-oxopropyl)phenyl]phosphoryl]phenyl]acetamide is sourced from PubChem (CID 160994901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).