5-[1-(ethoxymethyl)imidazol-2-yl]-3-N,3-N-dipropylbenzene-1,3-dicarboxamide

C20H28N4O3 — CID 142673219

IUPAC5-[1-(ethoxymethyl)imidazol-2-yl]-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
SMILESCCCN(CCC)C(=O)c1cc(C(N)=O)cc(-c2nccn2COCC)c1
InChIInChI=1S/C20H28N4O3/c1-4-8-23(9-5-2)20(26)17-12-15(18(21)25)11-16(13-17)19-22-7-10-24(19)14-27-6-3/h7,10-13H,4-6,8-9,14H2,1-3H3,(H2,21,25)
InChIKeyJWMSTJWIMQWJHC-UHFFFAOYSA-N
MW372.47 g/mol
LogP2.91
Rot. Bonds10

About 5-[1-(ethoxymethyl)imidazol-2-yl]-3-N,3-N-dipropylbenzene-1,3-dicarboxamide

5-[1-(ethoxymethyl)imidazol-2-yl]-3-N,3-N-dipropylbenzene-1,3-dicarboxamide (PubChem CID 142673219) has the molecular formula C20H28N4O3 and a molecular weight of 372.47 g/mol. Its IUPAC name is 5-[1-(ethoxymethyl)imidazol-2-yl]-3-N,3-N-dipropylbenzene-1,3-dicarboxamide.

Molecular Properties

Compound Name5-[1-(ethoxymethyl)imidazol-2-yl]-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
PubChem CID142673219
Molecular FormulaC20H28N4O3
Molecular Weight372.47 g/mol
Exact Mass372.22
IUPAC Name5-[1-(ethoxymethyl)imidazol-2-yl]-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
SMILESCCCN(CCC)C(=O)c1cc(C(N)=O)cc(-c2nccn2COCC)c1
InChIInChI=1S/C20H28N4O3/c1-4-8-23(9-5-2)20(26)17-12-15(18(21)25)11-16(13-17)19-22-7-10-24(19)14-27-6-3/h7,10-13H,4-6,8-9,14H2,1-3H3,(H2,21,25)
InChIKeyJWMSTJWIMQWJHC-UHFFFAOYSA-N
XLogP2.91
TPSA90.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(ethoxymethyl)imidazol-2-yl]-3-N,3-N-dipropylbenzene-1,3-dicarboxamide?
The IUPAC name of 5-[1-(ethoxymethyl)imidazol-2-yl]-3-N,3-N-dipropylbenzene-1,3-dicarboxamide (CID 142673219) is 5-[1-(ethoxymethyl)imidazol-2-yl]-3-N,3-N-dipropylbenzene-1,3-dicarboxamide.
What is the SMILES notation for 5-[1-(ethoxymethyl)imidazol-2-yl]-3-N,3-N-dipropylbenzene-1,3-dicarboxamide?
The canonical SMILES for 5-[1-(ethoxymethyl)imidazol-2-yl]-3-N,3-N-dipropylbenzene-1,3-dicarboxamide is CCCN(CCC)C(=O)c1cc(C(N)=O)cc(-c2nccn2COCC)c1.
What is the InChIKey of 5-[1-(ethoxymethyl)imidazol-2-yl]-3-N,3-N-dipropylbenzene-1,3-dicarboxamide?
The InChIKey is JWMSTJWIMQWJHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O3/c1-4-8-23(9-5-2)20(26)17-12-15(18(21)25)11-16(13-17)19-22-7-10-24(19)14-27-6-3/h7,10-13H,4-6,8-9,14H2,1-3H3,(H2,21,25).
What are the key properties of 5-[1-(ethoxymethyl)imidazol-2-yl]-3-N,3-N-dipropylbenzene-1,3-dicarboxamide?
5-[1-(ethoxymethyl)imidazol-2-yl]-3-N,3-N-dipropylbenzene-1,3-dicarboxamide has a molecular weight of 372.47 g/mol, XLogP of 2.91, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(ethoxymethyl)imidazol-2-yl]-3-N,3-N-dipropylbenzene-1,3-dicarboxamide is sourced from PubChem (CID 142673219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).