[2-(cyclopentylamino)-2-oxoethyl] 4-benzoylbenzoate

C21H21NO4 — CID 2606533

IUPAC[2-(cyclopentylamino)-2-oxoethyl] 4-benzoylbenzoate
SMILESO=C(COC(=O)c1ccc(C(=O)c2ccccc2)cc1)NC1CCCC1
InChIInChI=1S/C21H21NO4/c23-19(22-18-8-4-5-9-18)14-26-21(25)17-12-10-16(11-13-17)20(24)15-6-2-1-3-7-15/h1-3,6-7,10-13,18H,4-5,8-9,14H2,(H,22,23)
InChIKeyZDCQSGVPKFRKNR-UHFFFAOYSA-N
MW351.40 g/mol
LogP3.13
Rot. Bonds6

About [2-(cyclopentylamino)-2-oxoethyl] 4-benzoylbenzoate

[2-(cyclopentylamino)-2-oxoethyl] 4-benzoylbenzoate (PubChem CID 2606533) has the molecular formula C21H21NO4 and a molecular weight of 351.40 g/mol. Its IUPAC name is [2-(cyclopentylamino)-2-oxoethyl] 4-benzoylbenzoate.

Molecular Properties

Compound Name[2-(cyclopentylamino)-2-oxoethyl] 4-benzoylbenzoate
PubChem CID2606533
Molecular FormulaC21H21NO4
Molecular Weight351.40 g/mol
Exact Mass351.15
IUPAC Name[2-(cyclopentylamino)-2-oxoethyl] 4-benzoylbenzoate
SMILESO=C(COC(=O)c1ccc(C(=O)c2ccccc2)cc1)NC1CCCC1
InChIInChI=1S/C21H21NO4/c23-19(22-18-8-4-5-9-18)14-26-21(25)17-12-10-16(11-13-17)20(24)15-6-2-1-3-7-15/h1-3,6-7,10-13,18H,4-5,8-9,14H2,(H,22,23)
InChIKeyZDCQSGVPKFRKNR-UHFFFAOYSA-N
XLogP3.13
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(cyclooctylamino)-2-oxoethyl] 4-hydroxybenzoate
CID 2432953
[2-(cycloheptylamino)-2-oxoethyl] 4-(hydroxymethyl)benzoate
CID 7541782
[2-(cycloheptylamino)-2-oxoethyl] 4-methoxybenzoate
CID 2376879
[2-[[(1S,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 4-benzoylbenzoate
CID 11890165
[2-(cyclohexylamino)-2-oxoethyl] 2-(4-methylbenzoyl)benzoate
CID 2435041
[2-(cycloheptylamino)-2-oxoethyl] 4-cyanobenzoate
CID 2351080
[2-(cycloheptylamino)-2-oxoethyl] 3-chlorobenzoate
CID 2121282
[2-(cyclohexylamino)-2-oxoethyl] 4-(trifluoromethoxy)benzoate
CID 7796501
[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] benzoate
CID 2516908
[2-(cyclohexylamino)-2-oxoethyl] 4-(1,3-dithiolan-2-yl)benzoate
CID 7744492
[2-(cyclopentylamino)-2-oxoethyl] 4-(2-methylpropoxy)benzoate
CID 2680572
[2-(cycloheptylamino)-2-oxoethyl] 3,4-dichlorobenzoate
CID 2430435

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopentylamino)-2-oxoethyl] 4-benzoylbenzoate?
The IUPAC name of [2-(cyclopentylamino)-2-oxoethyl] 4-benzoylbenzoate (CID 2606533) is [2-(cyclopentylamino)-2-oxoethyl] 4-benzoylbenzoate.
What is the SMILES notation for [2-(cyclopentylamino)-2-oxoethyl] 4-benzoylbenzoate?
The canonical SMILES for [2-(cyclopentylamino)-2-oxoethyl] 4-benzoylbenzoate is O=C(COC(=O)c1ccc(C(=O)c2ccccc2)cc1)NC1CCCC1.
What is the InChIKey of [2-(cyclopentylamino)-2-oxoethyl] 4-benzoylbenzoate?
The InChIKey is ZDCQSGVPKFRKNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO4/c23-19(22-18-8-4-5-9-18)14-26-21(25)17-12-10-16(11-13-17)20(24)15-6-2-1-3-7-15/h1-3,6-7,10-13,18H,4-5,8-9,14H2,(H,22,23).
What are the key properties of [2-(cyclopentylamino)-2-oxoethyl] 4-benzoylbenzoate?
[2-(cyclopentylamino)-2-oxoethyl] 4-benzoylbenzoate has a molecular weight of 351.40 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopentylamino)-2-oxoethyl] 4-benzoylbenzoate is sourced from PubChem (CID 2606533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).