[2-(2,6-diethylanilino)-2-oxoethyl] 1-phenylcyclopentane-1-carboxylate

C24H29NO3 — CID 8611306

IUPAC[2-(2,6-diethylanilino)-2-oxoethyl] 1-phenylcyclopentane-1-carboxylate
SMILESCCc1cccc(CC)c1NC(=O)COC(=O)C1(c2ccccc2)CCCC1
InChIInChI=1S/C24H29NO3/c1-3-18-11-10-12-19(4-2)22(18)25-21(26)17-28-23(27)24(15-8-9-16-24)20-13-6-5-7-14-20/h5-7,10-14H,3-4,8-9,15-17H2,1-2H3,(H,25,26)
InChIKeyKNPBABCXZNDCKY-UHFFFAOYSA-N
MW379.50 g/mol
LogP4.81
Rot. Bonds7

About [2-(2,6-diethylanilino)-2-oxoethyl] 1-phenylcyclopentane-1-carboxylate

[2-(2,6-diethylanilino)-2-oxoethyl] 1-phenylcyclopentane-1-carboxylate (PubChem CID 8611306) has the molecular formula C24H29NO3 and a molecular weight of 379.50 g/mol. Its IUPAC name is [2-(2,6-diethylanilino)-2-oxoethyl] 1-phenylcyclopentane-1-carboxylate.

Molecular Properties

Compound Name[2-(2,6-diethylanilino)-2-oxoethyl] 1-phenylcyclopentane-1-carboxylate
PubChem CID8611306
Molecular FormulaC24H29NO3
Molecular Weight379.50 g/mol
Exact Mass379.21
IUPAC Name[2-(2,6-diethylanilino)-2-oxoethyl] 1-phenylcyclopentane-1-carboxylate
SMILESCCc1cccc(CC)c1NC(=O)COC(=O)C1(c2ccccc2)CCCC1
InChIInChI=1S/C24H29NO3/c1-3-18-11-10-12-19(4-2)22(18)25-21(26)17-28-23(27)24(15-8-9-16-24)20-13-6-5-7-14-20/h5-7,10-14H,3-4,8-9,15-17H2,1-2H3,(H,25,26)
InChIKeyKNPBABCXZNDCKY-UHFFFAOYSA-N
XLogP4.81
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(2,6-diethylanilino)-2-oxoethyl] 1-(4-chlorophenyl)cyclopentane-1-carboxylate
CID 2353652
[2-(2,6-diethylanilino)-2-oxoethyl] 1-acetyl-4-phenylpiperidine-4-carboxylate
CID 35990278
[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] 1-phenylcyclobutane-1-carboxylate
CID 27097419
(2-anilino-2-oxoethyl) 1-phenylcyclobutane-1-carboxylate
CID 27097179
[2-(2,6-dichloro-3-methylanilino)-2-oxoethyl] 1-phenylcyclopentane-1-carboxylate
CID 8611350
[2-(3-chloro-2-methylanilino)-2-oxoethyl] 1-phenylcyclopentane-1-carboxylate
CID 8611135
[2-(2,6-dichloroanilino)-2-oxoethyl] 1-acetyl-4-phenylpiperidine-4-carboxylate
CID 35990301
[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl] 1-phenylcyclopentane-1-carboxylate
CID 8807699
[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 1-phenylcyclopentane-1-carboxylate
CID 7455392
[2-oxo-2-(1-phenylethylamino)ethyl] 1-phenylcyclopentane-1-carboxylate
CID 18075665
(2-anilino-2-oxoethyl) 1-(4-fluorophenyl)cyclopentane-1-carboxylate
CID 7866420
[2-oxo-2-(2,3,4,5,6-pentafluoroanilino)ethyl] 1-(4-fluorophenyl)cyclopentane-1-carboxylate
CID 2355135

Frequently Asked Questions

What is the IUPAC name of [2-(2,6-diethylanilino)-2-oxoethyl] 1-phenylcyclopentane-1-carboxylate?
The IUPAC name of [2-(2,6-diethylanilino)-2-oxoethyl] 1-phenylcyclopentane-1-carboxylate (CID 8611306) is [2-(2,6-diethylanilino)-2-oxoethyl] 1-phenylcyclopentane-1-carboxylate.
What is the SMILES notation for [2-(2,6-diethylanilino)-2-oxoethyl] 1-phenylcyclopentane-1-carboxylate?
The canonical SMILES for [2-(2,6-diethylanilino)-2-oxoethyl] 1-phenylcyclopentane-1-carboxylate is CCc1cccc(CC)c1NC(=O)COC(=O)C1(c2ccccc2)CCCC1.
What is the InChIKey of [2-(2,6-diethylanilino)-2-oxoethyl] 1-phenylcyclopentane-1-carboxylate?
The InChIKey is KNPBABCXZNDCKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29NO3/c1-3-18-11-10-12-19(4-2)22(18)25-21(26)17-28-23(27)24(15-8-9-16-24)20-13-6-5-7-14-20/h5-7,10-14H,3-4,8-9,15-17H2,1-2H3,(H,25,26).
What are the key properties of [2-(2,6-diethylanilino)-2-oxoethyl] 1-phenylcyclopentane-1-carboxylate?
[2-(2,6-diethylanilino)-2-oxoethyl] 1-phenylcyclopentane-1-carboxylate has a molecular weight of 379.50 g/mol, XLogP of 4.81, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,6-diethylanilino)-2-oxoethyl] 1-phenylcyclopentane-1-carboxylate is sourced from PubChem (CID 8611306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).