[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl] 4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanoate

C27H30N2O5 — CID 29318600

IUPAC[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl] 4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanoate
SMILESO=C(COC(=O)CCC(=O)c1ccc2c(c1)CCC2)Nc1ccccc1C(=O)NC1CCCC1
InChIInChI=1S/C27H30N2O5/c30-24(20-13-12-18-6-5-7-19(18)16-20)14-15-26(32)34-17-25(31)29-23-11-4-3-10-22(23)27(33)28-21-8-1-2-9-21/h3-4,10-13,16,21H,1-2,5-9,14-15,17H2,(H,28,33)(H,29,31)
InChIKeyDEBGQELAZAJLJV-UHFFFAOYSA-N
MW462.55 g/mol
LogP3.99
Rot. Bonds9

About [2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl] 4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanoate

[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl] 4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanoate (PubChem CID 29318600) has the molecular formula C27H30N2O5 and a molecular weight of 462.55 g/mol. Its IUPAC name is [2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl] 4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanoate.

Molecular Properties

Compound Name[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl] 4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanoate
PubChem CID29318600
Molecular FormulaC27H30N2O5
Molecular Weight462.55 g/mol
Exact Mass462.22
IUPAC Name[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl] 4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanoate
SMILESO=C(COC(=O)CCC(=O)c1ccc2c(c1)CCC2)Nc1ccccc1C(=O)NC1CCCC1
InChIInChI=1S/C27H30N2O5/c30-24(20-13-12-18-6-5-7-19(18)16-20)14-15-26(32)34-17-25(31)29-23-11-4-3-10-22(23)27(33)28-21-8-1-2-9-21/h3-4,10-13,16,21H,1-2,5-9,14-15,17H2,(H,28,33)(H,29,31)
InChIKeyDEBGQELAZAJLJV-UHFFFAOYSA-N
XLogP3.99
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.55
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl] 4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanoate with MolForge

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Related Compounds

[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanoate
CID 46806247
[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl] 3-thiophen-2-ylpropanoate
CID 8529123
[2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl] 4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanoate
CID 46806222
[2-oxo-2-[2-(phenylcarbamoyl)anilino]ethyl] 2,3-dihydro-1H-indene-5-carboxylate
CID 9010395
[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl] 2-(3,4-dimethylphenyl)acetate
CID 8527057
[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl] 3-(furan-2-carbonylamino)propanoate
CID 31403994
[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl] 2-(2-fluorophenoxy)acetate
CID 7842017
[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 3-(2,5-dioxopyrrolidin-1-yl)propanoate
CID 27926933
[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2-phenoxyacetate
CID 40616539
[2-(cyclohexanecarbonylamino)-2-oxoethyl] 4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoate
CID 33042636
[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl] 2-amino-5-bromobenzoate
CID 24557017
[2-[2-(3,4-dimethoxybenzoyl)hydrazinyl]-2-oxoethyl] 4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanoate
CID 55357288

Frequently Asked Questions

What is the IUPAC name of [2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl] 4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanoate?
The IUPAC name of [2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl] 4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanoate (CID 29318600) is [2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl] 4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanoate.
What is the SMILES notation for [2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl] 4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanoate?
The canonical SMILES for [2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl] 4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanoate is O=C(COC(=O)CCC(=O)c1ccc2c(c1)CCC2)Nc1ccccc1C(=O)NC1CCCC1.
What is the InChIKey of [2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl] 4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanoate?
The InChIKey is DEBGQELAZAJLJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O5/c30-24(20-13-12-18-6-5-7-19(18)16-20)14-15-26(32)34-17-25(31)29-23-11-4-3-10-22(23)27(33)28-21-8-1-2-9-21/h3-4,10-13,16,21H,1-2,5-9,14-15,17H2,(H,28,33)(H,29,31).
What are the key properties of [2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl] 4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanoate?
[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl] 4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanoate has a molecular weight of 462.55 g/mol, XLogP of 3.99, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl] 4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanoate is sourced from PubChem (CID 29318600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).