dimethyl benzene-1,4-dicarboxylate;urea

C11H14N2O5 — CID 138489958

IUPACdimethyl benzene-1,4-dicarboxylate;urea
SMILESCOC(=O)c1ccc(C(=O)OC)cc1.NC(N)=O
InChIInChI=1S/C10H10O4.CH4N2O/c1-13-9(11)7-3-5-8(6-4-7)10(12)14-2;2-1(3)4/h3-6H,1-2H3;(H4,2,3,4)
InChIKeyREUHDIPUFLFWAP-UHFFFAOYSA-N
MW254.24 g/mol
LogP0.28
Rot. Bonds2

About dimethyl benzene-1,4-dicarboxylate;urea

dimethyl benzene-1,4-dicarboxylate;urea (PubChem CID 138489958) has the molecular formula C11H14N2O5 and a molecular weight of 254.24 g/mol. Its IUPAC name is dimethyl benzene-1,4-dicarboxylate;urea.

Molecular Properties

Compound Namedimethyl benzene-1,4-dicarboxylate;urea
PubChem CID138489958
Molecular FormulaC11H14N2O5
Molecular Weight254.24 g/mol
Exact Mass254.09
IUPAC Namedimethyl benzene-1,4-dicarboxylate;urea
SMILESCOC(=O)c1ccc(C(=O)OC)cc1.NC(N)=O
InChIInChI=1S/C10H10O4.CH4N2O/c1-13-9(11)7-3-5-8(6-4-7)10(12)14-2;2-1(3)4/h3-6H,1-2H3;(H4,2,3,4)
InChIKeyREUHDIPUFLFWAP-UHFFFAOYSA-N
XLogP0.28
TPSA121.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.24
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-(N'-hydroxycarbamimidoyl)benzoate
CID 6815810
methyl 4-methylbenzoate
CID 91113291
dimethyl benzene-1,4-dicarboxylate;ethane-1,2-diol
CID 19938676
iron;methyl 4-(4-methoxycarbonylphenyl)benzoate
CID 159353152
methyl 4-methylbenzoate
CID 7455
dimethyl benzene-1,4-dicarboxylate;methanol;terephthalic acid
CID 159205173
CID 67391169
CID 67391169
CID 131861804
CID 131861804
4-[2-(4-methoxycarbonylphenyl)-2-oxoacetyl]benzoic acid
CID 170457455
methyl 4-sulfanylbenzoate;hydrochloride
CID 162200366
methyl 4-(4-methoxycarbonyl-N-methylanilino)benzoate
CID 11335546
CID 159177716
CID 159177716

Frequently Asked Questions

What is the IUPAC name of dimethyl benzene-1,4-dicarboxylate;urea?
The IUPAC name of dimethyl benzene-1,4-dicarboxylate;urea (CID 138489958) is dimethyl benzene-1,4-dicarboxylate;urea.
What is the SMILES notation for dimethyl benzene-1,4-dicarboxylate;urea?
The canonical SMILES for dimethyl benzene-1,4-dicarboxylate;urea is COC(=O)c1ccc(C(=O)OC)cc1.NC(N)=O.
What is the InChIKey of dimethyl benzene-1,4-dicarboxylate;urea?
The InChIKey is REUHDIPUFLFWAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O4.CH4N2O/c1-13-9(11)7-3-5-8(6-4-7)10(12)14-2;2-1(3)4/h3-6H,1-2H3;(H4,2,3,4).
What are the key properties of dimethyl benzene-1,4-dicarboxylate;urea?
dimethyl benzene-1,4-dicarboxylate;urea has a molecular weight of 254.24 g/mol, XLogP of 0.28, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl benzene-1,4-dicarboxylate;urea is sourced from PubChem (CID 138489958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).