2-[[methyl-(2-oxochromen-4-yl)carbamoyl]amino]ethyl dihydrogen phosphate

C13H15N2O7P — CID 146227955

IUPAC2-[[methyl-(2-oxochromen-4-yl)carbamoyl]amino]ethyl dihydrogen phosphate
SMILESCN(C(=O)NCCOP(=O)(O)O)c1cc(=O)oc2ccccc12
InChIInChI=1S/C13H15N2O7P/c1-15(13(17)14-6-7-21-23(18,19)20)10-8-12(16)22-11-5-3-2-4-9(10)11/h2-5,8H,6-7H2,1H3,(H,14,17)(H2,18,19,20)
InChIKeyOPMSMTVZJMDSNX-UHFFFAOYSA-N
MW342.24 g/mol
LogP1.05
Rot. Bonds5

About 2-[[methyl-(2-oxochromen-4-yl)carbamoyl]amino]ethyl dihydrogen phosphate

2-[[methyl-(2-oxochromen-4-yl)carbamoyl]amino]ethyl dihydrogen phosphate (PubChem CID 146227955) has the molecular formula C13H15N2O7P and a molecular weight of 342.24 g/mol. Its IUPAC name is 2-[[methyl-(2-oxochromen-4-yl)carbamoyl]amino]ethyl dihydrogen phosphate.

Molecular Properties

Compound Name2-[[methyl-(2-oxochromen-4-yl)carbamoyl]amino]ethyl dihydrogen phosphate
PubChem CID146227955
Molecular FormulaC13H15N2O7P
Molecular Weight342.24 g/mol
Exact Mass342.06
IUPAC Name2-[[methyl-(2-oxochromen-4-yl)carbamoyl]amino]ethyl dihydrogen phosphate
SMILESCN(C(=O)NCCOP(=O)(O)O)c1cc(=O)oc2ccccc12
InChIInChI=1S/C13H15N2O7P/c1-15(13(17)14-6-7-21-23(18,19)20)10-8-12(16)22-11-5-3-2-4-9(10)11/h2-5,8H,6-7H2,1H3,(H,14,17)(H2,18,19,20)
InChIKeyOPMSMTVZJMDSNX-UHFFFAOYSA-N
XLogP1.05
TPSA129.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.24
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[[methyl-(2-oxochromen-4-yl)carbamothioyl]amino]ethyl dihydrogen phosphate
CID 167274546
N-[2-(2-oxochromen-4-yl)oxyethyl]acetamide
CID 11311185
(2-oxochromen-3-yl)methyl N-(2-phosphonooxyethyl)carbamate
CID 139325470
(2-oxochromen-4-yl)methylphosphonic acid
CID 138756323
chromen-2-one;methanamine;[4-(methylamino)-4-oxobutyl] dihydrogen phosphate
CID 160842200
methyl 2-[2-methoxy-5-[methyl-(2-oxochromen-4-yl)amino]anilino]-2-oxoacetate
CID 135259626
2-[benzyl-(2-oxochromen-4-yl)amino]acetic acid
CID 11120426
4-[4-methoxy-N-methyl-3-(11-oxododecoxy)anilino]chromen-2-one
CID 160882643
3-[2-(dibenzofuran-3-ylcarbamoylamino)ethyl]-1,1-dimethylurea
CID 75475921
3-[(dimethylamino)methyl]-N-[3-(methylamino)propyl]-1-benzofuran-2-carboxamide
CID 119432397
methyl 2-[[2-[(6-tert-butyl-2-oxochromen-4-yl)-methylamino]ethoxy-phenoxyphosphoryl]amino]propanoate
CID 127026092
formaldehyde;4-[4-methoxy-N-methyl-3-(methylamino)anilino]chromen-2-one
CID 145279050

Frequently Asked Questions

What is the IUPAC name of 2-[[methyl-(2-oxochromen-4-yl)carbamoyl]amino]ethyl dihydrogen phosphate?
The IUPAC name of 2-[[methyl-(2-oxochromen-4-yl)carbamoyl]amino]ethyl dihydrogen phosphate (CID 146227955) is 2-[[methyl-(2-oxochromen-4-yl)carbamoyl]amino]ethyl dihydrogen phosphate.
What is the SMILES notation for 2-[[methyl-(2-oxochromen-4-yl)carbamoyl]amino]ethyl dihydrogen phosphate?
The canonical SMILES for 2-[[methyl-(2-oxochromen-4-yl)carbamoyl]amino]ethyl dihydrogen phosphate is CN(C(=O)NCCOP(=O)(O)O)c1cc(=O)oc2ccccc12.
What is the InChIKey of 2-[[methyl-(2-oxochromen-4-yl)carbamoyl]amino]ethyl dihydrogen phosphate?
The InChIKey is OPMSMTVZJMDSNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N2O7P/c1-15(13(17)14-6-7-21-23(18,19)20)10-8-12(16)22-11-5-3-2-4-9(10)11/h2-5,8H,6-7H2,1H3,(H,14,17)(H2,18,19,20).
What are the key properties of 2-[[methyl-(2-oxochromen-4-yl)carbamoyl]amino]ethyl dihydrogen phosphate?
2-[[methyl-(2-oxochromen-4-yl)carbamoyl]amino]ethyl dihydrogen phosphate has a molecular weight of 342.24 g/mol, XLogP of 1.05, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[methyl-(2-oxochromen-4-yl)carbamoyl]amino]ethyl dihydrogen phosphate is sourced from PubChem (CID 146227955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).