[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate

C18H23ClN2O4 — CID 2100301

IUPAC[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate
SMILESO=C(COC(=O)CNC(=O)C1CCCCC1)NCc1ccc(Cl)cc1
InChIInChI=1S/C18H23ClN2O4/c19-15-8-6-13(7-9-15)10-20-16(22)12-25-17(23)11-21-18(24)14-4-2-1-3-5-14/h6-9,14H,1-5,10-12H2,(H,20,22)(H,21,24)
InChIKeyNDYUJYVMBHQADT-UHFFFAOYSA-N
MW366.85 g/mol
LogP2.20
Rot. Bonds7

About [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate

[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate (PubChem CID 2100301) has the molecular formula C18H23ClN2O4 and a molecular weight of 366.85 g/mol. Its IUPAC name is [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate.

Molecular Properties

Compound Name[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate
PubChem CID2100301
Molecular FormulaC18H23ClN2O4
Molecular Weight366.85 g/mol
Exact Mass366.13
IUPAC Name[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate
SMILESO=C(COC(=O)CNC(=O)C1CCCCC1)NCc1ccc(Cl)cc1
InChIInChI=1S/C18H23ClN2O4/c19-15-8-6-13(7-9-15)10-20-16(22)12-25-17(23)11-21-18(24)14-4-2-1-3-5-14/h6-9,14H,1-5,10-12H2,(H,20,22)(H,21,24)
InChIKeyNDYUJYVMBHQADT-UHFFFAOYSA-N
XLogP2.20
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.85
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate?
The IUPAC name of [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate (CID 2100301) is [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate.
What is the SMILES notation for [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate?
The canonical SMILES for [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate is O=C(COC(=O)CNC(=O)C1CCCCC1)NCc1ccc(Cl)cc1.
What is the InChIKey of [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate?
The InChIKey is NDYUJYVMBHQADT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN2O4/c19-15-8-6-13(7-9-15)10-20-16(22)12-25-17(23)11-21-18(24)14-4-2-1-3-5-14/h6-9,14H,1-5,10-12H2,(H,20,22)(H,21,24).
What are the key properties of [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate?
[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate has a molecular weight of 366.85 g/mol, XLogP of 2.20, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate is sourced from PubChem (CID 2100301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).