[1-(cyclopentylamino)-1-oxopentan-2-yl] 2-(3-oxo-1,4-benzoxazin-4-yl)acetate

C20H26N2O5 — CID 652856

IUPAC[1-(cyclopentylamino)-1-oxopentan-2-yl] 2-(3-oxo-1,4-benzoxazin-4-yl)acetate
SMILESCCCC(OC(=O)CN1C(=O)COc2ccccc21)C(=O)NC1CCCC1
InChIInChI=1S/C20H26N2O5/c1-2-7-17(20(25)21-14-8-3-4-9-14)27-19(24)12-22-15-10-5-6-11-16(15)26-13-18(22)23/h5-6,10-11,14,17H,2-4,7-9,12-13H2,1H3,(H,21,25)
InChIKeyYWBJCOHEBDEQDR-UHFFFAOYSA-N
MW374.44 g/mol
LogP2.18
Rot. Bonds7

About [1-(cyclopentylamino)-1-oxopentan-2-yl] 2-(3-oxo-1,4-benzoxazin-4-yl)acetate

[1-(cyclopentylamino)-1-oxopentan-2-yl] 2-(3-oxo-1,4-benzoxazin-4-yl)acetate (PubChem CID 652856) has the molecular formula C20H26N2O5 and a molecular weight of 374.44 g/mol. Its IUPAC name is [1-(cyclopentylamino)-1-oxopentan-2-yl] 2-(3-oxo-1,4-benzoxazin-4-yl)acetate.

Molecular Properties

Compound Name[1-(cyclopentylamino)-1-oxopentan-2-yl] 2-(3-oxo-1,4-benzoxazin-4-yl)acetate
PubChem CID652856
Molecular FormulaC20H26N2O5
Molecular Weight374.44 g/mol
Exact Mass374.18
IUPAC Name[1-(cyclopentylamino)-1-oxopentan-2-yl] 2-(3-oxo-1,4-benzoxazin-4-yl)acetate
SMILESCCCC(OC(=O)CN1C(=O)COc2ccccc21)C(=O)NC1CCCC1
InChIInChI=1S/C20H26N2O5/c1-2-7-17(20(25)21-14-8-3-4-9-14)27-19(24)12-22-15-10-5-6-11-16(15)26-13-18(22)23/h5-6,10-11,14,17H,2-4,7-9,12-13H2,1H3,(H,21,25)
InChIKeyYWBJCOHEBDEQDR-UHFFFAOYSA-N
XLogP2.18
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(cyclopentylamino)-1-oxopentan-2-yl] 2-(3-oxo-1,4-benzoxazin-4-yl)acetate?
The IUPAC name of [1-(cyclopentylamino)-1-oxopentan-2-yl] 2-(3-oxo-1,4-benzoxazin-4-yl)acetate (CID 652856) is [1-(cyclopentylamino)-1-oxopentan-2-yl] 2-(3-oxo-1,4-benzoxazin-4-yl)acetate.
What is the SMILES notation for [1-(cyclopentylamino)-1-oxopentan-2-yl] 2-(3-oxo-1,4-benzoxazin-4-yl)acetate?
The canonical SMILES for [1-(cyclopentylamino)-1-oxopentan-2-yl] 2-(3-oxo-1,4-benzoxazin-4-yl)acetate is CCCC(OC(=O)CN1C(=O)COc2ccccc21)C(=O)NC1CCCC1.
What is the InChIKey of [1-(cyclopentylamino)-1-oxopentan-2-yl] 2-(3-oxo-1,4-benzoxazin-4-yl)acetate?
The InChIKey is YWBJCOHEBDEQDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O5/c1-2-7-17(20(25)21-14-8-3-4-9-14)27-19(24)12-22-15-10-5-6-11-16(15)26-13-18(22)23/h5-6,10-11,14,17H,2-4,7-9,12-13H2,1H3,(H,21,25).
What are the key properties of [1-(cyclopentylamino)-1-oxopentan-2-yl] 2-(3-oxo-1,4-benzoxazin-4-yl)acetate?
[1-(cyclopentylamino)-1-oxopentan-2-yl] 2-(3-oxo-1,4-benzoxazin-4-yl)acetate has a molecular weight of 374.44 g/mol, XLogP of 2.18, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclopentylamino)-1-oxopentan-2-yl] 2-(3-oxo-1,4-benzoxazin-4-yl)acetate is sourced from PubChem (CID 652856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).