[1-(4-acetamidoanilino)-1-oxopropan-2-yl] 4-butylcyclohexane-1-carboxylate

C22H32N2O4 — CID 16543422

IUPAC[1-(4-acetamidoanilino)-1-oxopropan-2-yl] 4-butylcyclohexane-1-carboxylate
SMILESCCCCC1CCC(C(=O)OC(C)C(=O)Nc2ccc(NC(C)=O)cc2)CC1
InChIInChI=1S/C22H32N2O4/c1-4-5-6-17-7-9-18(10-8-17)22(27)28-15(2)21(26)24-20-13-11-19(12-14-20)23-16(3)25/h11-15,17-18H,4-10H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyZROAUYXIIJOMHW-UHFFFAOYSA-N
MW388.51 g/mol
LogP4.51
Rot. Bonds8

About [1-(4-acetamidoanilino)-1-oxopropan-2-yl] 4-butylcyclohexane-1-carboxylate

[1-(4-acetamidoanilino)-1-oxopropan-2-yl] 4-butylcyclohexane-1-carboxylate (PubChem CID 16543422) has the molecular formula C22H32N2O4 and a molecular weight of 388.51 g/mol. Its IUPAC name is [1-(4-acetamidoanilino)-1-oxopropan-2-yl] 4-butylcyclohexane-1-carboxylate.

Molecular Properties

Compound Name[1-(4-acetamidoanilino)-1-oxopropan-2-yl] 4-butylcyclohexane-1-carboxylate
PubChem CID16543422
Molecular FormulaC22H32N2O4
Molecular Weight388.51 g/mol
Exact Mass388.24
IUPAC Name[1-(4-acetamidoanilino)-1-oxopropan-2-yl] 4-butylcyclohexane-1-carboxylate
SMILESCCCCC1CCC(C(=O)OC(C)C(=O)Nc2ccc(NC(C)=O)cc2)CC1
InChIInChI=1S/C22H32N2O4/c1-4-5-6-17-7-9-18(10-8-17)22(27)28-15(2)21(26)24-20-13-11-19(12-14-20)23-16(3)25/h11-15,17-18H,4-10H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyZROAUYXIIJOMHW-UHFFFAOYSA-N
XLogP4.51
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(4-acetamidoanilino)-1-oxopropan-2-yl] 4-butylcyclohexane-1-carboxylate?
The IUPAC name of [1-(4-acetamidoanilino)-1-oxopropan-2-yl] 4-butylcyclohexane-1-carboxylate (CID 16543422) is [1-(4-acetamidoanilino)-1-oxopropan-2-yl] 4-butylcyclohexane-1-carboxylate.
What is the SMILES notation for [1-(4-acetamidoanilino)-1-oxopropan-2-yl] 4-butylcyclohexane-1-carboxylate?
The canonical SMILES for [1-(4-acetamidoanilino)-1-oxopropan-2-yl] 4-butylcyclohexane-1-carboxylate is CCCCC1CCC(C(=O)OC(C)C(=O)Nc2ccc(NC(C)=O)cc2)CC1.
What is the InChIKey of [1-(4-acetamidoanilino)-1-oxopropan-2-yl] 4-butylcyclohexane-1-carboxylate?
The InChIKey is ZROAUYXIIJOMHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O4/c1-4-5-6-17-7-9-18(10-8-17)22(27)28-15(2)21(26)24-20-13-11-19(12-14-20)23-16(3)25/h11-15,17-18H,4-10H2,1-3H3,(H,23,25)(H,24,26).
What are the key properties of [1-(4-acetamidoanilino)-1-oxopropan-2-yl] 4-butylcyclohexane-1-carboxylate?
[1-(4-acetamidoanilino)-1-oxopropan-2-yl] 4-butylcyclohexane-1-carboxylate has a molecular weight of 388.51 g/mol, XLogP of 4.51, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-acetamidoanilino)-1-oxopropan-2-yl] 4-butylcyclohexane-1-carboxylate is sourced from PubChem (CID 16543422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).