[2-[3-(3-chloro-2-methylphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl] 1-(2-amino-1-methoxy-2-oxoethyl)naphthalene-2-carboxylate

C26H24ClN3O6 — CID 91112420

IUPAC[2-[3-(3-chloro-2-methylphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl] 1-(2-amino-1-methoxy-2-oxoethyl)naphthalene-2-carboxylate
SMILESCOC(C(N)=O)c1c(C(=O)OCC(=O)N2CC(=O)N(c3cccc(Cl)c3C)C2)ccc2ccccc12
InChIInChI=1S/C26H24ClN3O6/c1-15-19(27)8-5-9-20(15)30-14-29(12-21(30)31)22(32)13-36-26(34)18-11-10-16-6-3-4-7-17(16)23(18)24(35-2)25(28)33/h3-11,24H,12-14H2,1-2H3,(H2,28,33)
InChIKeyYNJUQMZIVVONEC-UHFFFAOYSA-N
MW509.95 g/mol
LogP2.96
Rot. Bonds7

About [2-[3-(3-chloro-2-methylphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl] 1-(2-amino-1-methoxy-2-oxoethyl)naphthalene-2-carboxylate

[2-[3-(3-chloro-2-methylphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl] 1-(2-amino-1-methoxy-2-oxoethyl)naphthalene-2-carboxylate (PubChem CID 91112420) has the molecular formula C26H24ClN3O6 and a molecular weight of 509.95 g/mol. Its IUPAC name is [2-[3-(3-chloro-2-methylphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl] 1-(2-amino-1-methoxy-2-oxoethyl)naphthalene-2-carboxylate.

Molecular Properties

Compound Name[2-[3-(3-chloro-2-methylphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl] 1-(2-amino-1-methoxy-2-oxoethyl)naphthalene-2-carboxylate
PubChem CID91112420
Molecular FormulaC26H24ClN3O6
Molecular Weight509.95 g/mol
Exact Mass509.14
IUPAC Name[2-[3-(3-chloro-2-methylphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl] 1-(2-amino-1-methoxy-2-oxoethyl)naphthalene-2-carboxylate
SMILESCOC(C(N)=O)c1c(C(=O)OCC(=O)N2CC(=O)N(c3cccc(Cl)c3C)C2)ccc2ccccc12
InChIInChI=1S/C26H24ClN3O6/c1-15-19(27)8-5-9-20(15)30-14-29(12-21(30)31)22(32)13-36-26(34)18-11-10-16-6-3-4-7-17(16)23(18)24(35-2)25(28)33/h3-11,24H,12-14H2,1-2H3,(H2,28,33)
InChIKeyYNJUQMZIVVONEC-UHFFFAOYSA-N
XLogP2.96
TPSA119.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.95
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-[3-(3-chloro-2-methylphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl] 1-(2-amino-1-methoxy-2-oxoethyl)naphthalene-2-carboxylate?
The IUPAC name of [2-[3-(3-chloro-2-methylphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl] 1-(2-amino-1-methoxy-2-oxoethyl)naphthalene-2-carboxylate (CID 91112420) is [2-[3-(3-chloro-2-methylphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl] 1-(2-amino-1-methoxy-2-oxoethyl)naphthalene-2-carboxylate.
What is the SMILES notation for [2-[3-(3-chloro-2-methylphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl] 1-(2-amino-1-methoxy-2-oxoethyl)naphthalene-2-carboxylate?
The canonical SMILES for [2-[3-(3-chloro-2-methylphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl] 1-(2-amino-1-methoxy-2-oxoethyl)naphthalene-2-carboxylate is COC(C(N)=O)c1c(C(=O)OCC(=O)N2CC(=O)N(c3cccc(Cl)c3C)C2)ccc2ccccc12.
What is the InChIKey of [2-[3-(3-chloro-2-methylphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl] 1-(2-amino-1-methoxy-2-oxoethyl)naphthalene-2-carboxylate?
The InChIKey is YNJUQMZIVVONEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClN3O6/c1-15-19(27)8-5-9-20(15)30-14-29(12-21(30)31)22(32)13-36-26(34)18-11-10-16-6-3-4-7-17(16)23(18)24(35-2)25(28)33/h3-11,24H,12-14H2,1-2H3,(H2,28,33).
What are the key properties of [2-[3-(3-chloro-2-methylphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl] 1-(2-amino-1-methoxy-2-oxoethyl)naphthalene-2-carboxylate?
[2-[3-(3-chloro-2-methylphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl] 1-(2-amino-1-methoxy-2-oxoethyl)naphthalene-2-carboxylate has a molecular weight of 509.95 g/mol, XLogP of 2.96, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(3-chloro-2-methylphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl] 1-(2-amino-1-methoxy-2-oxoethyl)naphthalene-2-carboxylate is sourced from PubChem (CID 91112420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).