N-(1-amino-3-methyl-1-oxobutan-2-yl)-N-phenacylcyclohexanecarboxamide

C20H28N2O3 — CID 22284334

IUPACN-(1-amino-3-methyl-1-oxobutan-2-yl)-N-phenacylcyclohexanecarboxamide
SMILESCC(C)C(C(N)=O)N(CC(=O)c1ccccc1)C(=O)C1CCCCC1
InChIInChI=1S/C20H28N2O3/c1-14(2)18(19(21)24)22(20(25)16-11-7-4-8-12-16)13-17(23)15-9-5-3-6-10-15/h3,5-6,9-10,14,16,18H,4,7-8,11-13H2,1-2H3,(H2,21,24)
InChIKeyJGIRNSCLCNMRGK-UHFFFAOYSA-N
MW344.45 g/mol
LogP2.79
Rot. Bonds7

About N-(1-amino-3-methyl-1-oxobutan-2-yl)-N-phenacylcyclohexanecarboxamide

N-(1-amino-3-methyl-1-oxobutan-2-yl)-N-phenacylcyclohexanecarboxamide (PubChem CID 22284334) has the molecular formula C20H28N2O3 and a molecular weight of 344.45 g/mol. Its IUPAC name is N-(1-amino-3-methyl-1-oxobutan-2-yl)-N-phenacylcyclohexanecarboxamide.

Molecular Properties

Compound NameN-(1-amino-3-methyl-1-oxobutan-2-yl)-N-phenacylcyclohexanecarboxamide
PubChem CID22284334
Molecular FormulaC20H28N2O3
Molecular Weight344.45 g/mol
Exact Mass344.21
IUPAC NameN-(1-amino-3-methyl-1-oxobutan-2-yl)-N-phenacylcyclohexanecarboxamide
SMILESCC(C)C(C(N)=O)N(CC(=O)c1ccccc1)C(=O)C1CCCCC1
InChIInChI=1S/C20H28N2O3/c1-14(2)18(19(21)24)22(20(25)16-11-7-4-8-12-16)13-17(23)15-9-5-3-6-10-15/h3,5-6,9-10,14,16,18H,4,7-8,11-13H2,1-2H3,(H2,21,24)
InChIKeyJGIRNSCLCNMRGK-UHFFFAOYSA-N
XLogP2.79
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.45
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-3-methyl-1-oxobutan-2-yl)-N-phenacylcyclohexanecarboxamide?
The IUPAC name of N-(1-amino-3-methyl-1-oxobutan-2-yl)-N-phenacylcyclohexanecarboxamide (CID 22284334) is N-(1-amino-3-methyl-1-oxobutan-2-yl)-N-phenacylcyclohexanecarboxamide.
What is the SMILES notation for N-(1-amino-3-methyl-1-oxobutan-2-yl)-N-phenacylcyclohexanecarboxamide?
The canonical SMILES for N-(1-amino-3-methyl-1-oxobutan-2-yl)-N-phenacylcyclohexanecarboxamide is CC(C)C(C(N)=O)N(CC(=O)c1ccccc1)C(=O)C1CCCCC1.
What is the InChIKey of N-(1-amino-3-methyl-1-oxobutan-2-yl)-N-phenacylcyclohexanecarboxamide?
The InChIKey is JGIRNSCLCNMRGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O3/c1-14(2)18(19(21)24)22(20(25)16-11-7-4-8-12-16)13-17(23)15-9-5-3-6-10-15/h3,5-6,9-10,14,16,18H,4,7-8,11-13H2,1-2H3,(H2,21,24).
What are the key properties of N-(1-amino-3-methyl-1-oxobutan-2-yl)-N-phenacylcyclohexanecarboxamide?
N-(1-amino-3-methyl-1-oxobutan-2-yl)-N-phenacylcyclohexanecarboxamide has a molecular weight of 344.45 g/mol, XLogP of 2.79, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-3-methyl-1-oxobutan-2-yl)-N-phenacylcyclohexanecarboxamide is sourced from PubChem (CID 22284334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).