[2-(cyclopentylamino)-2-oxoethyl] 2-[(3-methylbenzoyl)amino]acetate

C17H22N2O4 — CID 9364084

IUPAC[2-(cyclopentylamino)-2-oxoethyl] 2-[(3-methylbenzoyl)amino]acetate
SMILESCc1cccc(C(=O)NCC(=O)OCC(=O)NC2CCCC2)c1
InChIInChI=1S/C17H22N2O4/c1-12-5-4-6-13(9-12)17(22)18-10-16(21)23-11-15(20)19-14-7-2-3-8-14/h4-6,9,14H,2-3,7-8,10-11H2,1H3,(H,18,22)(H,19,20)
InChIKeyLAZHJINTXCFPTB-UHFFFAOYSA-N
MW318.37 g/mol
LogP1.33
Rot. Bonds6

About [2-(cyclopentylamino)-2-oxoethyl] 2-[(3-methylbenzoyl)amino]acetate

[2-(cyclopentylamino)-2-oxoethyl] 2-[(3-methylbenzoyl)amino]acetate (PubChem CID 9364084) has the molecular formula C17H22N2O4 and a molecular weight of 318.37 g/mol. Its IUPAC name is [2-(cyclopentylamino)-2-oxoethyl] 2-[(3-methylbenzoyl)amino]acetate.

Molecular Properties

Compound Name[2-(cyclopentylamino)-2-oxoethyl] 2-[(3-methylbenzoyl)amino]acetate
PubChem CID9364084
Molecular FormulaC17H22N2O4
Molecular Weight318.37 g/mol
Exact Mass318.16
IUPAC Name[2-(cyclopentylamino)-2-oxoethyl] 2-[(3-methylbenzoyl)amino]acetate
SMILESCc1cccc(C(=O)NCC(=O)OCC(=O)NC2CCCC2)c1
InChIInChI=1S/C17H22N2O4/c1-12-5-4-6-13(9-12)17(22)18-10-16(21)23-11-15(20)19-14-7-2-3-8-14/h4-6,9,14H,2-3,7-8,10-11H2,1H3,(H,18,22)(H,19,20)
InChIKeyLAZHJINTXCFPTB-UHFFFAOYSA-N
XLogP1.33
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 2-[(3-methylbenzoyl)amino]acetate
CID 46789752
[2-[2-[[2-[2-[(3-methylbenzoyl)amino]acetyl]oxyacetyl]amino]ethylamino]-2-oxoethyl] 2-[(3-methylbenzoyl)amino]acetate
CID 24980263
[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2-[(3-methylbenzoyl)amino]acetate
CID 9364162
[2-oxo-2-(propan-2-ylamino)ethyl] 2-[(3-methylbenzoyl)amino]acetate
CID 9363764
N-[3-(cyclopentylamino)-3-oxopropyl]-3-methylbenzamide
CID 17191350
[2-(cyclooctylamino)-2-oxoethyl] 2-[(4-bromobenzoyl)amino]acetate
CID 35643140
[2-(1-adamantylmethylamino)-2-oxoethyl] 2-[(3-methylbenzoyl)amino]acetate
CID 9363782
N-cyclooctyl-3-methylbenzamide
CID 966011
[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2-[(3-methylbenzoyl)amino]acetate
CID 9364143
[2-(3-methylpiperidin-1-yl)-2-oxoethyl] 2-[(3-methylbenzoyl)amino]acetate
CID 16536941
[2-(cyclooctylamino)-2-oxoethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate
CID 4271051
[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 2-[(3-methylbenzoyl)amino]acetate
CID 40676131

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopentylamino)-2-oxoethyl] 2-[(3-methylbenzoyl)amino]acetate?
The IUPAC name of [2-(cyclopentylamino)-2-oxoethyl] 2-[(3-methylbenzoyl)amino]acetate (CID 9364084) is [2-(cyclopentylamino)-2-oxoethyl] 2-[(3-methylbenzoyl)amino]acetate.
What is the SMILES notation for [2-(cyclopentylamino)-2-oxoethyl] 2-[(3-methylbenzoyl)amino]acetate?
The canonical SMILES for [2-(cyclopentylamino)-2-oxoethyl] 2-[(3-methylbenzoyl)amino]acetate is Cc1cccc(C(=O)NCC(=O)OCC(=O)NC2CCCC2)c1.
What is the InChIKey of [2-(cyclopentylamino)-2-oxoethyl] 2-[(3-methylbenzoyl)amino]acetate?
The InChIKey is LAZHJINTXCFPTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4/c1-12-5-4-6-13(9-12)17(22)18-10-16(21)23-11-15(20)19-14-7-2-3-8-14/h4-6,9,14H,2-3,7-8,10-11H2,1H3,(H,18,22)(H,19,20).
What are the key properties of [2-(cyclopentylamino)-2-oxoethyl] 2-[(3-methylbenzoyl)amino]acetate?
[2-(cyclopentylamino)-2-oxoethyl] 2-[(3-methylbenzoyl)amino]acetate has a molecular weight of 318.37 g/mol, XLogP of 1.33, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopentylamino)-2-oxoethyl] 2-[(3-methylbenzoyl)amino]acetate is sourced from PubChem (CID 9364084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).