bis(dihydroxy(oxo)phosphanium);1-methyl-1,3-dipropylurea

C8H22N2O7P2+2 — CID 88765209

IUPACbis(dihydroxy(oxo)phosphanium);1-methyl-1,3-dipropylurea
SMILESCCCNC(=O)N(C)CCC.O=[P+](O)O.O=[P+](O)O
InChIInChI=1S/C8H18N2O.2HO3P/c1-4-6-9-8(11)10(3)7-5-2;2*1-4(2)3/h4-7H2,1-3H3,(H,9,11);2*(H-,1,2,3)/p+2
InChIKeyIEKJJYKKMILGRC-UHFFFAOYSA-P
MW320.22 g/mol
LogP0.70
Rot. Bonds4

About bis(dihydroxy(oxo)phosphanium);1-methyl-1,3-dipropylurea

bis(dihydroxy(oxo)phosphanium);1-methyl-1,3-dipropylurea (PubChem CID 88765209) has the molecular formula C8H22N2O7P2+2 and a molecular weight of 320.22 g/mol. Its IUPAC name is bis(dihydroxy(oxo)phosphanium);1-methyl-1,3-dipropylurea.

Molecular Properties

Compound Namebis(dihydroxy(oxo)phosphanium);1-methyl-1,3-dipropylurea
PubChem CID88765209
Molecular FormulaC8H22N2O7P2+2
Molecular Weight320.22 g/mol
Exact Mass320.09
IUPAC Namebis(dihydroxy(oxo)phosphanium);1-methyl-1,3-dipropylurea
SMILESCCCNC(=O)N(C)CCC.O=[P+](O)O.O=[P+](O)O
InChIInChI=1S/C8H18N2O.2HO3P/c1-4-6-9-8(11)10(3)7-5-2;2*1-4(2)3/h4-7H2,1-3H3,(H,9,11);2*(H-,1,2,3)/p+2
InChIKeyIEKJJYKKMILGRC-UHFFFAOYSA-P
XLogP0.70
TPSA147.40 Ų
H-Bond Donors5
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.22
LogP ≤ 50.70
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[[methyl(propyl)carbamoyl]amino]propanoic acid
CID 61195850
4-[[methyl(propyl)carbamoyl]amino]butanoic acid
CID 61195680
1-methyl-3-propyl-1-sulfanylurea
CID 56993771
2-hydroxy-3-[[methyl(propyl)carbamoyl]amino]propanoic acid
CID 66167993
ethyl 2-[methyl(propylcarbamoyl)amino]acetate
CID 10241951
3-[2-[amino(methyl)amino]ethyl]-1-methyl-1-pentylurea
CID 167106061
3-[methyl(octylcarbamoyl)amino]propanoic acid
CID 115569264
2-hydroxy-2-methyl-3-[[methyl(propyl)carbamoyl]amino]propanoic acid
CID 66175927
1-(cyclohexylmethyl)-1-methyl-3-propylurea
CID 115583089
1-octyl-1,3-dipropylurea
CID 87897947
1-methyl-1-methylsulfonyl-3-propylurea
CID 173463477
methyl 4-[butylcarbamoyl(methyl)amino]butanoate
CID 60970627

Frequently Asked Questions

What is the IUPAC name of bis(dihydroxy(oxo)phosphanium);1-methyl-1,3-dipropylurea?
The IUPAC name of bis(dihydroxy(oxo)phosphanium);1-methyl-1,3-dipropylurea (CID 88765209) is bis(dihydroxy(oxo)phosphanium);1-methyl-1,3-dipropylurea.
What is the SMILES notation for bis(dihydroxy(oxo)phosphanium);1-methyl-1,3-dipropylurea?
The canonical SMILES for bis(dihydroxy(oxo)phosphanium);1-methyl-1,3-dipropylurea is CCCNC(=O)N(C)CCC.O=[P+](O)O.O=[P+](O)O.
What is the InChIKey of bis(dihydroxy(oxo)phosphanium);1-methyl-1,3-dipropylurea?
The InChIKey is IEKJJYKKMILGRC-UHFFFAOYSA-P. The full InChI is InChI=1S/C8H18N2O.2HO3P/c1-4-6-9-8(11)10(3)7-5-2;2*1-4(2)3/h4-7H2,1-3H3,(H,9,11);2*(H-,1,2,3)/p+2.
What are the key properties of bis(dihydroxy(oxo)phosphanium);1-methyl-1,3-dipropylurea?
bis(dihydroxy(oxo)phosphanium);1-methyl-1,3-dipropylurea has a molecular weight of 320.22 g/mol, XLogP of 0.70, 4 rotatable bonds, 5 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(dihydroxy(oxo)phosphanium);1-methyl-1,3-dipropylurea is sourced from PubChem (CID 88765209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).