[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 4-tert-butylcyclohexane-1-carboxylate

C24H36N2O4 — CID 8708975

IUPAC[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 4-tert-butylcyclohexane-1-carboxylate
SMILESCCN(CC)C(=O)c1ccc(NC(=O)COC(=O)C2CCC(C(C)(C)C)CC2)cc1
InChIInChI=1S/C24H36N2O4/c1-6-26(7-2)22(28)17-10-14-20(15-11-17)25-21(27)16-30-23(29)18-8-12-19(13-9-18)24(3,4)5/h10-11,14-15,18-19H,6-9,12-13,16H2,1-5H3,(H,25,27)
InChIKeyLBTMAPUMMSRGJU-UHFFFAOYSA-N
MW416.56 g/mol
LogP4.50
Rot. Bonds7

About [2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 4-tert-butylcyclohexane-1-carboxylate

[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 4-tert-butylcyclohexane-1-carboxylate (PubChem CID 8708975) has the molecular formula C24H36N2O4 and a molecular weight of 416.56 g/mol. Its IUPAC name is [2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 4-tert-butylcyclohexane-1-carboxylate.

Molecular Properties

Compound Name[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 4-tert-butylcyclohexane-1-carboxylate
PubChem CID8708975
Molecular FormulaC24H36N2O4
Molecular Weight416.56 g/mol
Exact Mass416.27
IUPAC Name[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 4-tert-butylcyclohexane-1-carboxylate
SMILESCCN(CC)C(=O)c1ccc(NC(=O)COC(=O)C2CCC(C(C)(C)C)CC2)cc1
InChIInChI=1S/C24H36N2O4/c1-6-26(7-2)22(28)17-10-14-20(15-11-17)25-21(27)16-30-23(29)18-8-12-19(13-9-18)24(3,4)5/h10-11,14-15,18-19H,6-9,12-13,16H2,1-5H3,(H,25,27)
InChIKeyLBTMAPUMMSRGJU-UHFFFAOYSA-N
XLogP4.50
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.56
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] (1S)-cyclohex-3-ene-1-carboxylate
CID 7949094
[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 1-propanoylpiperidine-3-carboxylate
CID 55817828
[2-(3-acetamidoanilino)-2-oxoethyl] 4-tert-butylcyclohexane-1-carboxylate
CID 7794425
[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 4-acetamidobenzoate
CID 7957923
[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 4-hydroxybenzoate
CID 7777347
[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 4-tert-butylcyclohexane-1-carboxylate
CID 23961153
[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 4-chlorobenzoate
CID 7797485
4-O-[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 1-O-ethyl (E)-but-2-enedioate
CID 7851851
methyl 4-[[2-(cyclobutanecarbonyloxy)acetyl]amino]benzoate
CID 8019672
[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] (1S)-cyclohex-3-ene-1-carboxylate
CID 7949074
[2-[4-(dimethylamino)anilino]-2-oxoethyl] cyclohexanecarboxylate
CID 3621562
4-[(2-aminoacetyl)amino]-N,N-diethylbenzamide;hydrochloride
CID 119268389

Frequently Asked Questions

What is the IUPAC name of [2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 4-tert-butylcyclohexane-1-carboxylate?
The IUPAC name of [2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 4-tert-butylcyclohexane-1-carboxylate (CID 8708975) is [2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 4-tert-butylcyclohexane-1-carboxylate.
What is the SMILES notation for [2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 4-tert-butylcyclohexane-1-carboxylate?
The canonical SMILES for [2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 4-tert-butylcyclohexane-1-carboxylate is CCN(CC)C(=O)c1ccc(NC(=O)COC(=O)C2CCC(C(C)(C)C)CC2)cc1.
What is the InChIKey of [2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 4-tert-butylcyclohexane-1-carboxylate?
The InChIKey is LBTMAPUMMSRGJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N2O4/c1-6-26(7-2)22(28)17-10-14-20(15-11-17)25-21(27)16-30-23(29)18-8-12-19(13-9-18)24(3,4)5/h10-11,14-15,18-19H,6-9,12-13,16H2,1-5H3,(H,25,27).
What are the key properties of [2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 4-tert-butylcyclohexane-1-carboxylate?
[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 4-tert-butylcyclohexane-1-carboxylate has a molecular weight of 416.56 g/mol, XLogP of 4.50, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 4-tert-butylcyclohexane-1-carboxylate is sourced from PubChem (CID 8708975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).