1-[1-[[2-(N-cyclohexylanilino)-2-oxoethyl]amino]ethyl]cyclopentane-1-carboxylic acid

C22H32N2O3 — CID 90738858

IUPAC1-[1-[[2-(N-cyclohexylanilino)-2-oxoethyl]amino]ethyl]cyclopentane-1-carboxylic acid
SMILESCC(NCC(=O)N(c1ccccc1)C1CCCCC1)C1(C(=O)O)CCCC1
InChIInChI=1S/C22H32N2O3/c1-17(22(21(26)27)14-8-9-15-22)23-16-20(25)24(18-10-4-2-5-11-18)19-12-6-3-7-13-19/h2,4-5,10-11,17,19,23H,3,6-9,12-16H2,1H3,(H,26,27)
InChIKeyDERPTVBPLSLWTJ-UHFFFAOYSA-N
MW372.51 g/mol
LogP3.98
Rot. Bonds7

About 1-[1-[[2-(N-cyclohexylanilino)-2-oxoethyl]amino]ethyl]cyclopentane-1-carboxylic acid

1-[1-[[2-(N-cyclohexylanilino)-2-oxoethyl]amino]ethyl]cyclopentane-1-carboxylic acid (PubChem CID 90738858) has the molecular formula C22H32N2O3 and a molecular weight of 372.51 g/mol. Its IUPAC name is 1-[1-[[2-(N-cyclohexylanilino)-2-oxoethyl]amino]ethyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[1-[[2-(N-cyclohexylanilino)-2-oxoethyl]amino]ethyl]cyclopentane-1-carboxylic acid
PubChem CID90738858
Molecular FormulaC22H32N2O3
Molecular Weight372.51 g/mol
Exact Mass372.24
IUPAC Name1-[1-[[2-(N-cyclohexylanilino)-2-oxoethyl]amino]ethyl]cyclopentane-1-carboxylic acid
SMILESCC(NCC(=O)N(c1ccccc1)C1CCCCC1)C1(C(=O)O)CCCC1
InChIInChI=1S/C22H32N2O3/c1-17(22(21(26)27)14-8-9-15-22)23-16-20(25)24(18-10-4-2-5-11-18)19-12-6-3-7-13-19/h2,4-5,10-11,17,19,23H,3,6-9,12-16H2,1H3,(H,26,27)
InChIKeyDERPTVBPLSLWTJ-UHFFFAOYSA-N
XLogP3.98
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[1-[[2-(N-cyclohexylanilino)-2-oxoethyl]amino]ethyl]cyclopentane-1-carboxylic acid with MolForge

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Related Compounds

[2-(N-cyclohexylanilino)-2-oxoethyl]-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
CID 9050143
(2R)-2-chloro-N-cyclohexyl-N-phenylpropanamide
CID 97357253
N-cyclohexyl-2-[[3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]amino]-N-phenylacetamide
CID 22251074
[2-(N-cyclohexylanilino)-2-oxoethyl]-[2-(methylamino)-2-oxoethyl]azanium
CID 8772439
N-cyclohexyl-2-[2-[2-(N-cyclohexylanilino)-2-oxoethoxy]phenoxy]-N-phenylacetamide
CID 102017753
N-cyclohexyl-N-methyl-2-(1-phenylethylamino)acetamide
CID 54815225
[2-(N-cyclohexylanilino)-2-oxoethyl]-[2-(2,6-dimethylanilino)-2-oxoethyl]-methylazanium
CID 9221937
N-cyclohexyl-N-phenylcarbamoyl chloride
CID 18329458
2-(5-acetamido-2-methoxyanilino)-N-cyclohexyl-N-phenylacetamide
CID 24583313
[2-(N-cyclohexylanilino)-2-oxoethyl]-[(1S,2R,4R)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]azanium
CID 7188171
N-cyclohexyl-2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-phenylacetamide
CID 6993214
N-cyclohexyl-N-phenyl-2-piperidin-4-ylacetamide
CID 174812391

Frequently Asked Questions

What is the IUPAC name of 1-[1-[[2-(N-cyclohexylanilino)-2-oxoethyl]amino]ethyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[1-[[2-(N-cyclohexylanilino)-2-oxoethyl]amino]ethyl]cyclopentane-1-carboxylic acid (CID 90738858) is 1-[1-[[2-(N-cyclohexylanilino)-2-oxoethyl]amino]ethyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[1-[[2-(N-cyclohexylanilino)-2-oxoethyl]amino]ethyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[1-[[2-(N-cyclohexylanilino)-2-oxoethyl]amino]ethyl]cyclopentane-1-carboxylic acid is CC(NCC(=O)N(c1ccccc1)C1CCCCC1)C1(C(=O)O)CCCC1.
What is the InChIKey of 1-[1-[[2-(N-cyclohexylanilino)-2-oxoethyl]amino]ethyl]cyclopentane-1-carboxylic acid?
The InChIKey is DERPTVBPLSLWTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O3/c1-17(22(21(26)27)14-8-9-15-22)23-16-20(25)24(18-10-4-2-5-11-18)19-12-6-3-7-13-19/h2,4-5,10-11,17,19,23H,3,6-9,12-16H2,1H3,(H,26,27).
What are the key properties of 1-[1-[[2-(N-cyclohexylanilino)-2-oxoethyl]amino]ethyl]cyclopentane-1-carboxylic acid?
1-[1-[[2-(N-cyclohexylanilino)-2-oxoethyl]amino]ethyl]cyclopentane-1-carboxylic acid has a molecular weight of 372.51 g/mol, XLogP of 3.98, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[[2-(N-cyclohexylanilino)-2-oxoethyl]amino]ethyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 90738858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).