N-[1-(2-ethoxyanilino)-4-methyl-1-oxopentan-2-yl]cyclohexanecarboxamide

C21H32N2O3 — CID 5322731

IUPACN-[1-(2-ethoxyanilino)-4-methyl-1-oxopentan-2-yl]cyclohexanecarboxamide
SMILESCCOc1ccccc1NC(=O)C(CC(C)C)NC(=O)C1CCCCC1
InChIInChI=1S/C21H32N2O3/c1-4-26-19-13-9-8-12-17(19)22-21(25)18(14-15(2)3)23-20(24)16-10-6-5-7-11-16/h8-9,12-13,15-16,18H,4-7,10-11,14H2,1-3H3,(H,22,25)(H,23,24)
InChIKeyOKQROKZDECFTIY-UHFFFAOYSA-N
MW360.50 g/mol
LogP4.14
Rot. Bonds8

About N-[1-(2-ethoxyanilino)-4-methyl-1-oxopentan-2-yl]cyclohexanecarboxamide

N-[1-(2-ethoxyanilino)-4-methyl-1-oxopentan-2-yl]cyclohexanecarboxamide (PubChem CID 5322731) has the molecular formula C21H32N2O3 and a molecular weight of 360.50 g/mol. Its IUPAC name is N-[1-(2-ethoxyanilino)-4-methyl-1-oxopentan-2-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[1-(2-ethoxyanilino)-4-methyl-1-oxopentan-2-yl]cyclohexanecarboxamide
PubChem CID5322731
Molecular FormulaC21H32N2O3
Molecular Weight360.50 g/mol
Exact Mass360.24
IUPAC NameN-[1-(2-ethoxyanilino)-4-methyl-1-oxopentan-2-yl]cyclohexanecarboxamide
SMILESCCOc1ccccc1NC(=O)C(CC(C)C)NC(=O)C1CCCCC1
InChIInChI=1S/C21H32N2O3/c1-4-26-19-13-9-8-12-17(19)22-21(25)18(14-15(2)3)23-20(24)16-10-6-5-7-11-16/h8-9,12-13,15-16,18H,4-7,10-11,14H2,1-3H3,(H,22,25)(H,23,24)
InChIKeyOKQROKZDECFTIY-UHFFFAOYSA-N
XLogP4.14
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-ethoxyanilino)-4-methyl-1-oxopentan-2-yl]cyclohexanecarboxamide?
The IUPAC name of N-[1-(2-ethoxyanilino)-4-methyl-1-oxopentan-2-yl]cyclohexanecarboxamide (CID 5322731) is N-[1-(2-ethoxyanilino)-4-methyl-1-oxopentan-2-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[1-(2-ethoxyanilino)-4-methyl-1-oxopentan-2-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[1-(2-ethoxyanilino)-4-methyl-1-oxopentan-2-yl]cyclohexanecarboxamide is CCOc1ccccc1NC(=O)C(CC(C)C)NC(=O)C1CCCCC1.
What is the InChIKey of N-[1-(2-ethoxyanilino)-4-methyl-1-oxopentan-2-yl]cyclohexanecarboxamide?
The InChIKey is OKQROKZDECFTIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O3/c1-4-26-19-13-9-8-12-17(19)22-21(25)18(14-15(2)3)23-20(24)16-10-6-5-7-11-16/h8-9,12-13,15-16,18H,4-7,10-11,14H2,1-3H3,(H,22,25)(H,23,24).
What are the key properties of N-[1-(2-ethoxyanilino)-4-methyl-1-oxopentan-2-yl]cyclohexanecarboxamide?
N-[1-(2-ethoxyanilino)-4-methyl-1-oxopentan-2-yl]cyclohexanecarboxamide has a molecular weight of 360.50 g/mol, XLogP of 4.14, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-ethoxyanilino)-4-methyl-1-oxopentan-2-yl]cyclohexanecarboxamide is sourced from PubChem (CID 5322731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).