[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 1-phenylcyclopentane-1-carboxylate

C23H26N2O4 — CID 4795120

IUPAC[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 1-phenylcyclopentane-1-carboxylate
SMILESCN(C)C(=O)c1ccc(NC(=O)COC(=O)C2(c3ccccc3)CCCC2)cc1
InChIInChI=1S/C23H26N2O4/c1-25(2)21(27)17-10-12-19(13-11-17)24-20(26)16-29-22(28)23(14-6-7-15-23)18-8-4-3-5-9-18/h3-5,8-13H,6-7,14-16H2,1-2H3,(H,24,26)
InChIKeyAWUPMUDSIAAMKT-UHFFFAOYSA-N
MW394.47 g/mol
LogP3.38
Rot. Bonds6

About [2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 1-phenylcyclopentane-1-carboxylate

[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 1-phenylcyclopentane-1-carboxylate (PubChem CID 4795120) has the molecular formula C23H26N2O4 and a molecular weight of 394.47 g/mol. Its IUPAC name is [2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 1-phenylcyclopentane-1-carboxylate.

Molecular Properties

Compound Name[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 1-phenylcyclopentane-1-carboxylate
PubChem CID4795120
Molecular FormulaC23H26N2O4
Molecular Weight394.47 g/mol
Exact Mass394.19
IUPAC Name[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 1-phenylcyclopentane-1-carboxylate
SMILESCN(C)C(=O)c1ccc(NC(=O)COC(=O)C2(c3ccccc3)CCCC2)cc1
InChIInChI=1S/C23H26N2O4/c1-25(2)21(27)17-10-12-19(13-11-17)24-20(26)16-29-22(28)23(14-6-7-15-23)18-8-4-3-5-9-18/h3-5,8-13H,6-7,14-16H2,1-2H3,(H,24,26)
InChIKeyAWUPMUDSIAAMKT-UHFFFAOYSA-N
XLogP3.38
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 1-phenylcyclopentane-1-carboxylate?
The IUPAC name of [2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 1-phenylcyclopentane-1-carboxylate (CID 4795120) is [2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 1-phenylcyclopentane-1-carboxylate.
What is the SMILES notation for [2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 1-phenylcyclopentane-1-carboxylate?
The canonical SMILES for [2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 1-phenylcyclopentane-1-carboxylate is CN(C)C(=O)c1ccc(NC(=O)COC(=O)C2(c3ccccc3)CCCC2)cc1.
What is the InChIKey of [2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 1-phenylcyclopentane-1-carboxylate?
The InChIKey is AWUPMUDSIAAMKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O4/c1-25(2)21(27)17-10-12-19(13-11-17)24-20(26)16-29-22(28)23(14-6-7-15-23)18-8-4-3-5-9-18/h3-5,8-13H,6-7,14-16H2,1-2H3,(H,24,26).
What are the key properties of [2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 1-phenylcyclopentane-1-carboxylate?
[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 1-phenylcyclopentane-1-carboxylate has a molecular weight of 394.47 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 1-phenylcyclopentane-1-carboxylate is sourced from PubChem (CID 4795120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).