[2-(3-acetamidoanilino)-2-oxoethyl] 4-tert-butylcyclohexane-1-carboxylate

C21H30N2O4 — CID 7794425

IUPAC[2-(3-acetamidoanilino)-2-oxoethyl] 4-tert-butylcyclohexane-1-carboxylate
SMILESCC(=O)Nc1cccc(NC(=O)COC(=O)C2CCC(C(C)(C)C)CC2)c1
InChIInChI=1S/C21H30N2O4/c1-14(24)22-17-6-5-7-18(12-17)23-19(25)13-27-20(26)15-8-10-16(11-9-15)21(2,3)4/h5-7,12,15-16H,8-11,13H2,1-4H3,(H,22,24)(H,23,25)
InChIKeyMAYCNPIKVVERIO-UHFFFAOYSA-N
MW374.48 g/mol
LogP3.98
Rot. Bonds5

About [2-(3-acetamidoanilino)-2-oxoethyl] 4-tert-butylcyclohexane-1-carboxylate

[2-(3-acetamidoanilino)-2-oxoethyl] 4-tert-butylcyclohexane-1-carboxylate (PubChem CID 7794425) has the molecular formula C21H30N2O4 and a molecular weight of 374.48 g/mol. Its IUPAC name is [2-(3-acetamidoanilino)-2-oxoethyl] 4-tert-butylcyclohexane-1-carboxylate.

Molecular Properties

Compound Name[2-(3-acetamidoanilino)-2-oxoethyl] 4-tert-butylcyclohexane-1-carboxylate
PubChem CID7794425
Molecular FormulaC21H30N2O4
Molecular Weight374.48 g/mol
Exact Mass374.22
IUPAC Name[2-(3-acetamidoanilino)-2-oxoethyl] 4-tert-butylcyclohexane-1-carboxylate
SMILESCC(=O)Nc1cccc(NC(=O)COC(=O)C2CCC(C(C)(C)C)CC2)c1
InChIInChI=1S/C21H30N2O4/c1-14(24)22-17-6-5-7-18(12-17)23-19(25)13-27-20(26)15-8-10-16(11-9-15)21(2,3)4/h5-7,12,15-16H,8-11,13H2,1-4H3,(H,22,24)(H,23,25)
InChIKeyMAYCNPIKVVERIO-UHFFFAOYSA-N
XLogP3.98
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.48
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(3-acetamidoanilino)-2-oxoethyl] cyclopropanecarboxylate
CID 7863201
[2-(3-acetamidoanilino)-2-oxoethyl] 2-cyclopentylacetate
CID 7722315
trans-[2-(3-acetamidoanilino)-2-oxoethyl] (1S,2S)-2-methylcyclopropane-1-carboxylate
CID 7776746
[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] cyclopropanecarboxylate
CID 35051099
[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl] 4-tert-butylcyclohexane-1-carboxylate
CID 8708975
[2-(4-chloro-2-fluoroanilino)-2-oxoethyl] 4-tert-butylcyclohexane-1-carboxylate
CID 23822377
[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 4-tert-butylcyclohexane-1-carboxylate
CID 8708974
[2-(3-iodoanilino)-2-oxoethyl] cyclohexanecarboxylate
CID 2410507
[2-(4-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 4-tert-butylcyclohexane-1-carboxylate
CID 23961153
N-[3-acetamido-5-[(4-tert-butylcyclohexanecarbonyl)amino]phenyl]-4-tert-butylcyclohexane-1-carboxamide
CID 130404848
[2-(5-chloro-2-cyanoanilino)-2-oxoethyl] 4-tert-butylcyclohexane-1-carboxylate
CID 2353626
[2-(3-acetamidoanilino)-2-oxoethyl] 4-cyclohexylbenzoate
CID 8538394

Frequently Asked Questions

What is the IUPAC name of [2-(3-acetamidoanilino)-2-oxoethyl] 4-tert-butylcyclohexane-1-carboxylate?
The IUPAC name of [2-(3-acetamidoanilino)-2-oxoethyl] 4-tert-butylcyclohexane-1-carboxylate (CID 7794425) is [2-(3-acetamidoanilino)-2-oxoethyl] 4-tert-butylcyclohexane-1-carboxylate.
What is the SMILES notation for [2-(3-acetamidoanilino)-2-oxoethyl] 4-tert-butylcyclohexane-1-carboxylate?
The canonical SMILES for [2-(3-acetamidoanilino)-2-oxoethyl] 4-tert-butylcyclohexane-1-carboxylate is CC(=O)Nc1cccc(NC(=O)COC(=O)C2CCC(C(C)(C)C)CC2)c1.
What is the InChIKey of [2-(3-acetamidoanilino)-2-oxoethyl] 4-tert-butylcyclohexane-1-carboxylate?
The InChIKey is MAYCNPIKVVERIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O4/c1-14(24)22-17-6-5-7-18(12-17)23-19(25)13-27-20(26)15-8-10-16(11-9-15)21(2,3)4/h5-7,12,15-16H,8-11,13H2,1-4H3,(H,22,24)(H,23,25).
What are the key properties of [2-(3-acetamidoanilino)-2-oxoethyl] 4-tert-butylcyclohexane-1-carboxylate?
[2-(3-acetamidoanilino)-2-oxoethyl] 4-tert-butylcyclohexane-1-carboxylate has a molecular weight of 374.48 g/mol, XLogP of 3.98, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-acetamidoanilino)-2-oxoethyl] 4-tert-butylcyclohexane-1-carboxylate is sourced from PubChem (CID 7794425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).