[4-(2-acetamidoethyl)phenyl] dihydrogen phosphate

C10H14NO5P — CID 56630055

IUPAC[4-(2-acetamidoethyl)phenyl] dihydrogen phosphate
SMILESCC(=O)NCCc1ccc(OP(=O)(O)O)cc1
InChIInChI=1S/C10H14NO5P/c1-8(12)11-7-6-9-2-4-10(5-3-9)16-17(13,14)15/h2-5H,6-7H2,1H3,(H,11,12)(H2,13,14,15)
InChIKeyMVQPTCCOYKZROX-UHFFFAOYSA-N
MW259.20 g/mol
LogP0.84
Rot. Bonds5

About [4-(2-acetamidoethyl)phenyl] dihydrogen phosphate

[4-(2-acetamidoethyl)phenyl] dihydrogen phosphate (PubChem CID 56630055) has the molecular formula C10H14NO5P and a molecular weight of 259.20 g/mol. Its IUPAC name is [4-(2-acetamidoethyl)phenyl] dihydrogen phosphate.

Molecular Properties

Compound Name[4-(2-acetamidoethyl)phenyl] dihydrogen phosphate
PubChem CID56630055
Molecular FormulaC10H14NO5P
Molecular Weight259.20 g/mol
Exact Mass259.06
IUPAC Name[4-(2-acetamidoethyl)phenyl] dihydrogen phosphate
SMILESCC(=O)NCCc1ccc(OP(=O)(O)O)cc1
InChIInChI=1S/C10H14NO5P/c1-8(12)11-7-6-9-2-4-10(5-3-9)16-17(13,14)15/h2-5H,6-7H2,1H3,(H,11,12)(H2,13,14,15)
InChIKeyMVQPTCCOYKZROX-UHFFFAOYSA-N
XLogP0.84
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.20
LogP ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [4-(2-acetamidoethyl)phenyl] dihydrogen phosphate with MolForge

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

Launch Full Analysis

Related Compounds

[4-[2-(3-sulfanylpropanoylamino)ethyl]phenyl] dihydrogen phosphate
CID 101247885
2-(4-methoxyphenyl)ethanamine;N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 158927905
N-[2-(4-methylphenyl)ethyl]acetamide;hydrochloride
CID 67025739
3-acetamido-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 8896928
[4-[(2S)-3-(2-acetamidoethylamino)-3-oxo-2-(3-sulfanylpropanoylamino)propyl]phenyl] dihydrogen phosphate
CID 10741438
ethane;N-[2-(4-methylphenyl)ethyl]acetamide;molecular hydrogen
CID 142068448
2-amino-3-(4-phosphonooxyphenyl)propanoic acid;phosphane
CID 174881323
4-(2-acetamidoethyl)benzenesulfonic acid;hydrochloride
CID 174437007
N-[2-(4-ethylsulfanylphenyl)ethyl]acetamide
CID 110790662
4-N-[2-(4-methoxyphenyl)ethyl]-1-N-propylbenzene-1,4-dicarboxamide
CID 109042916
[4-[2-amino-3-[2-(4-hydroxyphenyl)ethylamino]-3-oxopropyl]-2-hydroxyphenyl] dihydrogen phosphate
CID 156647221
ethyl 2-[4-(2-acetamidoethyl)phenoxy]hexanoate
CID 23471007

Frequently Asked Questions

What is the IUPAC name of [4-(2-acetamidoethyl)phenyl] dihydrogen phosphate?
The IUPAC name of [4-(2-acetamidoethyl)phenyl] dihydrogen phosphate (CID 56630055) is [4-(2-acetamidoethyl)phenyl] dihydrogen phosphate.
What is the SMILES notation for [4-(2-acetamidoethyl)phenyl] dihydrogen phosphate?
The canonical SMILES for [4-(2-acetamidoethyl)phenyl] dihydrogen phosphate is CC(=O)NCCc1ccc(OP(=O)(O)O)cc1.
What is the InChIKey of [4-(2-acetamidoethyl)phenyl] dihydrogen phosphate?
The InChIKey is MVQPTCCOYKZROX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14NO5P/c1-8(12)11-7-6-9-2-4-10(5-3-9)16-17(13,14)15/h2-5H,6-7H2,1H3,(H,11,12)(H2,13,14,15).
What are the key properties of [4-(2-acetamidoethyl)phenyl] dihydrogen phosphate?
[4-(2-acetamidoethyl)phenyl] dihydrogen phosphate has a molecular weight of 259.20 g/mol, XLogP of 0.84, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-acetamidoethyl)phenyl] dihydrogen phosphate is sourced from PubChem (CID 56630055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).