3-[4-[[2-(2-cyclopentyl-2-oxoethoxy)acetyl]amino]phenyl]-N-[3-(2-ethylcyclohexyl)-3-oxopropyl]propanamide

C29H42N2O5 — CID 123879628

IUPAC3-[4-[[2-(2-cyclopentyl-2-oxoethoxy)acetyl]amino]phenyl]-N-[3-(2-ethylcyclohexyl)-3-oxopropyl]propanamide
SMILESCCC1CCCCC1C(=O)CCNC(=O)CCc1ccc(NC(=O)COCC(=O)C2CCCC2)cc1
InChIInChI=1S/C29H42N2O5/c1-2-22-7-5-6-10-25(22)26(32)17-18-30-28(34)16-13-21-11-14-24(15-12-21)31-29(35)20-36-19-27(33)23-8-3-4-9-23/h11-12,14-15,22-23,25H,2-10,13,16-20H2,1H3,(H,30,34)(H,31,35)
InChIKeyVDJPTBIFVKGKIS-UHFFFAOYSA-N
MW498.66 g/mol
LogP4.63
Rot. Bonds14

About 3-[4-[[2-(2-cyclopentyl-2-oxoethoxy)acetyl]amino]phenyl]-N-[3-(2-ethylcyclohexyl)-3-oxopropyl]propanamide

3-[4-[[2-(2-cyclopentyl-2-oxoethoxy)acetyl]amino]phenyl]-N-[3-(2-ethylcyclohexyl)-3-oxopropyl]propanamide (PubChem CID 123879628) has the molecular formula C29H42N2O5 and a molecular weight of 498.66 g/mol. Its IUPAC name is 3-[4-[[2-(2-cyclopentyl-2-oxoethoxy)acetyl]amino]phenyl]-N-[3-(2-ethylcyclohexyl)-3-oxopropyl]propanamide.

Molecular Properties

Compound Name3-[4-[[2-(2-cyclopentyl-2-oxoethoxy)acetyl]amino]phenyl]-N-[3-(2-ethylcyclohexyl)-3-oxopropyl]propanamide
PubChem CID123879628
Molecular FormulaC29H42N2O5
Molecular Weight498.66 g/mol
Exact Mass498.31
IUPAC Name3-[4-[[2-(2-cyclopentyl-2-oxoethoxy)acetyl]amino]phenyl]-N-[3-(2-ethylcyclohexyl)-3-oxopropyl]propanamide
SMILESCCC1CCCCC1C(=O)CCNC(=O)CCc1ccc(NC(=O)COCC(=O)C2CCCC2)cc1
InChIInChI=1S/C29H42N2O5/c1-2-22-7-5-6-10-25(22)26(32)17-18-30-28(34)16-13-21-11-14-24(15-12-21)31-29(35)20-36-19-27(33)23-8-3-4-9-23/h11-12,14-15,22-23,25H,2-10,13,16-20H2,1H3,(H,30,34)(H,31,35)
InChIKeyVDJPTBIFVKGKIS-UHFFFAOYSA-N
XLogP4.63
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.66
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[4-[[2-(2-cyclopentyl-2-oxoethoxy)acetyl]amino]phenyl]-N-[3-(2-ethylcyclohexyl)-3-oxopropyl]propanamide with MolForge

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Related Compounds

N-(3-cyclopentyl-3-oxopropyl)-3-[4-[[2-[2-oxo-2-(phosphanylamino)ethoxy]acetyl]amino]phenyl]propanamide
CID 163779995
N-[3-(4-cyclopentylbutylamino)-3-oxopropyl]-3-[4-[[2-[2-[3-(3-methylphenyl)propylamino]-2-oxoethoxy]acetyl]amino]phenyl]propanamide
CID 123942323
3-[4-[[2-[3-(methyldisulfanyl)-2,4-dioxopentoxy]acetyl]amino]phenyl]-N-(3-oxopentyl)propanamide
CID 160905008
N-(3-cyclohexyl-3-oxopropyl)-3-[4-[3-[2-[2-[3-(3-cyclopentyl-2,5-dioxopyrrolidin-1-yl)propanoylamino]ethoxy]ethoxy]propanoylamino]phenyl]propanamide
CID 126699016
CID 161252204
CID 161252204
N-[3-(4-bromoanilino)-3-oxopropyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 55951072
N-[2-[3-(3,4-dimethoxyphenyl)propanoylamino]ethyl]cyclohexanecarboxamide
CID 108538969
N-[4-(4-methylphenyl)butyl]-2-[2-oxo-2-[4-[3-oxo-3-(2-oxoazetidin-1-yl)propyl]anilino]ethoxy]acetamide
CID 123319122
N-butyl-2-[2-(4-methylanilino)-2-oxoethoxy]acetamide
CID 4694962
N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-3-(4-ethoxyphenyl)propanamide
CID 86944687
N-(4-butylphenyl)-3-cyclopentylpropanamide
CID 4076618
N-[2-[3-(4-propan-2-ylphenyl)propanoylamino]ethyl]cyclohexanecarboxamide
CID 55806046

Frequently Asked Questions

What is the IUPAC name of 3-[4-[[2-(2-cyclopentyl-2-oxoethoxy)acetyl]amino]phenyl]-N-[3-(2-ethylcyclohexyl)-3-oxopropyl]propanamide?
The IUPAC name of 3-[4-[[2-(2-cyclopentyl-2-oxoethoxy)acetyl]amino]phenyl]-N-[3-(2-ethylcyclohexyl)-3-oxopropyl]propanamide (CID 123879628) is 3-[4-[[2-(2-cyclopentyl-2-oxoethoxy)acetyl]amino]phenyl]-N-[3-(2-ethylcyclohexyl)-3-oxopropyl]propanamide.
What is the SMILES notation for 3-[4-[[2-(2-cyclopentyl-2-oxoethoxy)acetyl]amino]phenyl]-N-[3-(2-ethylcyclohexyl)-3-oxopropyl]propanamide?
The canonical SMILES for 3-[4-[[2-(2-cyclopentyl-2-oxoethoxy)acetyl]amino]phenyl]-N-[3-(2-ethylcyclohexyl)-3-oxopropyl]propanamide is CCC1CCCCC1C(=O)CCNC(=O)CCc1ccc(NC(=O)COCC(=O)C2CCCC2)cc1.
What is the InChIKey of 3-[4-[[2-(2-cyclopentyl-2-oxoethoxy)acetyl]amino]phenyl]-N-[3-(2-ethylcyclohexyl)-3-oxopropyl]propanamide?
The InChIKey is VDJPTBIFVKGKIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H42N2O5/c1-2-22-7-5-6-10-25(22)26(32)17-18-30-28(34)16-13-21-11-14-24(15-12-21)31-29(35)20-36-19-27(33)23-8-3-4-9-23/h11-12,14-15,22-23,25H,2-10,13,16-20H2,1H3,(H,30,34)(H,31,35).
What are the key properties of 3-[4-[[2-(2-cyclopentyl-2-oxoethoxy)acetyl]amino]phenyl]-N-[3-(2-ethylcyclohexyl)-3-oxopropyl]propanamide?
3-[4-[[2-(2-cyclopentyl-2-oxoethoxy)acetyl]amino]phenyl]-N-[3-(2-ethylcyclohexyl)-3-oxopropyl]propanamide has a molecular weight of 498.66 g/mol, XLogP of 4.63, 14 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[2-(2-cyclopentyl-2-oxoethoxy)acetyl]amino]phenyl]-N-[3-(2-ethylcyclohexyl)-3-oxopropyl]propanamide is sourced from PubChem (CID 123879628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).