[2-(cycloheptylamino)-2-oxoethyl] 2-[(4-chlorobenzoyl)amino]acetate

C18H23ClN2O4 — CID 4782978

IUPAC[2-(cycloheptylamino)-2-oxoethyl] 2-[(4-chlorobenzoyl)amino]acetate
SMILESO=C(COC(=O)CNC(=O)c1ccc(Cl)cc1)NC1CCCCCC1
InChIInChI=1S/C18H23ClN2O4/c19-14-9-7-13(8-10-14)18(24)20-11-17(23)25-12-16(22)21-15-5-3-1-2-4-6-15/h7-10,15H,1-6,11-12H2,(H,20,24)(H,21,22)
InChIKeyPCZVNASTQHOMHY-UHFFFAOYSA-N
MW366.85 g/mol
LogP2.45
Rot. Bonds6

About [2-(cycloheptylamino)-2-oxoethyl] 2-[(4-chlorobenzoyl)amino]acetate

[2-(cycloheptylamino)-2-oxoethyl] 2-[(4-chlorobenzoyl)amino]acetate (PubChem CID 4782978) has the molecular formula C18H23ClN2O4 and a molecular weight of 366.85 g/mol. Its IUPAC name is [2-(cycloheptylamino)-2-oxoethyl] 2-[(4-chlorobenzoyl)amino]acetate.

Molecular Properties

Compound Name[2-(cycloheptylamino)-2-oxoethyl] 2-[(4-chlorobenzoyl)amino]acetate
PubChem CID4782978
Molecular FormulaC18H23ClN2O4
Molecular Weight366.85 g/mol
Exact Mass366.13
IUPAC Name[2-(cycloheptylamino)-2-oxoethyl] 2-[(4-chlorobenzoyl)amino]acetate
SMILESO=C(COC(=O)CNC(=O)c1ccc(Cl)cc1)NC1CCCCCC1
InChIInChI=1S/C18H23ClN2O4/c19-14-9-7-13(8-10-14)18(24)20-11-17(23)25-12-16(22)21-15-5-3-1-2-4-6-15/h7-10,15H,1-6,11-12H2,(H,20,24)(H,21,22)
InChIKeyPCZVNASTQHOMHY-UHFFFAOYSA-N
XLogP2.45
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.85
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(cycloheptylamino)-2-oxoethyl] 2-[(4-chlorobenzoyl)amino]acetate?
The IUPAC name of [2-(cycloheptylamino)-2-oxoethyl] 2-[(4-chlorobenzoyl)amino]acetate (CID 4782978) is [2-(cycloheptylamino)-2-oxoethyl] 2-[(4-chlorobenzoyl)amino]acetate.
What is the SMILES notation for [2-(cycloheptylamino)-2-oxoethyl] 2-[(4-chlorobenzoyl)amino]acetate?
The canonical SMILES for [2-(cycloheptylamino)-2-oxoethyl] 2-[(4-chlorobenzoyl)amino]acetate is O=C(COC(=O)CNC(=O)c1ccc(Cl)cc1)NC1CCCCCC1.
What is the InChIKey of [2-(cycloheptylamino)-2-oxoethyl] 2-[(4-chlorobenzoyl)amino]acetate?
The InChIKey is PCZVNASTQHOMHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN2O4/c19-14-9-7-13(8-10-14)18(24)20-11-17(23)25-12-16(22)21-15-5-3-1-2-4-6-15/h7-10,15H,1-6,11-12H2,(H,20,24)(H,21,22).
What are the key properties of [2-(cycloheptylamino)-2-oxoethyl] 2-[(4-chlorobenzoyl)amino]acetate?
[2-(cycloheptylamino)-2-oxoethyl] 2-[(4-chlorobenzoyl)amino]acetate has a molecular weight of 366.85 g/mol, XLogP of 2.45, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cycloheptylamino)-2-oxoethyl] 2-[(4-chlorobenzoyl)amino]acetate is sourced from PubChem (CID 4782978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).