[2-[4-[(2S)-butan-2-yl]anilino]-2-oxoethyl] 2-cyclopentylacetate

C19H27NO3 — CID 2343770

IUPAC[2-[4-[(2S)-butan-2-yl]anilino]-2-oxoethyl] 2-cyclopentylacetate
SMILESCC[C@H](C)c1ccc(NC(=O)COC(=O)CC2CCCC2)cc1
InChIInChI=1S/C19H27NO3/c1-3-14(2)16-8-10-17(11-9-16)20-18(21)13-23-19(22)12-15-6-4-5-7-15/h8-11,14-15H,3-7,12-13H2,1-2H3,(H,20,21)/t14-/m0/s1
InChIKeyAZUYWOVNGVYYQS-AWEZNQCLSA-N
MW317.43 g/mol
LogP4.26
Rot. Bonds7

About [2-[4-[(2S)-butan-2-yl]anilino]-2-oxoethyl] 2-cyclopentylacetate

[2-[4-[(2S)-butan-2-yl]anilino]-2-oxoethyl] 2-cyclopentylacetate (PubChem CID 2343770) has the molecular formula C19H27NO3 and a molecular weight of 317.43 g/mol. Its IUPAC name is [2-[4-[(2S)-butan-2-yl]anilino]-2-oxoethyl] 2-cyclopentylacetate.

Molecular Properties

Compound Name[2-[4-[(2S)-butan-2-yl]anilino]-2-oxoethyl] 2-cyclopentylacetate
PubChem CID2343770
Molecular FormulaC19H27NO3
Molecular Weight317.43 g/mol
Exact Mass317.20
IUPAC Name[2-[4-[(2S)-butan-2-yl]anilino]-2-oxoethyl] 2-cyclopentylacetate
SMILESCC[C@H](C)c1ccc(NC(=O)COC(=O)CC2CCCC2)cc1
InChIInChI=1S/C19H27NO3/c1-3-14(2)16-8-10-17(11-9-16)20-18(21)13-23-19(22)12-15-6-4-5-7-15/h8-11,14-15H,3-7,12-13H2,1-2H3,(H,20,21)/t14-/m0/s1
InChIKeyAZUYWOVNGVYYQS-AWEZNQCLSA-N
XLogP4.26
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(4-butan-2-ylanilino)-2-oxoethyl] 2-cyclopentylacetate
CID 3397154
[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2-cyclohexylacetate
CID 35776405
[2-(3-acetamidoanilino)-2-oxoethyl] 2-cyclopentylacetate
CID 7722315
[2-[4-[(2R)-butan-2-yl]anilino]-2-oxoethyl] 2-[(3R)-1,1-dioxothiolan-3-yl]sulfanylacetate
CID 8668148
2-cyclopentyl-N-(4-propan-2-ylphenyl)acetamide
CID 11839703
[2-[4-[(2S)-butan-2-yl]anilino]-2-oxoethyl] 4-acetamidobenzoate
CID 7949966
[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] 2-cyclohexylacetate
CID 42968314
[2-(4-butan-2-ylanilino)-2-oxoethyl] 2-[cyclohexyl(methyl)carbamoyl]benzoate
CID 4565386
2-amino-N-(4-butan-2-ylphenyl)acetamide
CID 43218233
[2-[4-[(2S)-butan-2-yl]anilino]-2-oxoethyl] (2S)-2-hydroxy-2-phenylacetate
CID 7834192
N-[4-[2-(4-butan-2-ylanilino)-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 78904121
[2-[4-[(2R)-butan-2-yl]anilino]-2-oxoethyl] 2-(2-ethoxyphenoxy)acetate
CID 7844626

Frequently Asked Questions

What is the IUPAC name of [2-[4-[(2S)-butan-2-yl]anilino]-2-oxoethyl] 2-cyclopentylacetate?
The IUPAC name of [2-[4-[(2S)-butan-2-yl]anilino]-2-oxoethyl] 2-cyclopentylacetate (CID 2343770) is [2-[4-[(2S)-butan-2-yl]anilino]-2-oxoethyl] 2-cyclopentylacetate.
What is the SMILES notation for [2-[4-[(2S)-butan-2-yl]anilino]-2-oxoethyl] 2-cyclopentylacetate?
The canonical SMILES for [2-[4-[(2S)-butan-2-yl]anilino]-2-oxoethyl] 2-cyclopentylacetate is CC[C@H](C)c1ccc(NC(=O)COC(=O)CC2CCCC2)cc1.
What is the InChIKey of [2-[4-[(2S)-butan-2-yl]anilino]-2-oxoethyl] 2-cyclopentylacetate?
The InChIKey is AZUYWOVNGVYYQS-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H27NO3/c1-3-14(2)16-8-10-17(11-9-16)20-18(21)13-23-19(22)12-15-6-4-5-7-15/h8-11,14-15H,3-7,12-13H2,1-2H3,(H,20,21)/t14-/m0/s1.
What are the key properties of [2-[4-[(2S)-butan-2-yl]anilino]-2-oxoethyl] 2-cyclopentylacetate?
[2-[4-[(2S)-butan-2-yl]anilino]-2-oxoethyl] 2-cyclopentylacetate has a molecular weight of 317.43 g/mol, XLogP of 4.26, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-[(2S)-butan-2-yl]anilino]-2-oxoethyl] 2-cyclopentylacetate is sourced from PubChem (CID 2343770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).