benzyl N-[1-(cyclohexylamino)-3-methyl-1-oxobutan-2-yl]carbamate

C19H28N2O3 — CID 4176929

IUPACbenzyl N-[1-(cyclohexylamino)-3-methyl-1-oxobutan-2-yl]carbamate
SMILESCC(C)C(NC(=O)OCc1ccccc1)C(=O)NC1CCCCC1
InChIInChI=1S/C19H28N2O3/c1-14(2)17(18(22)20-16-11-7-4-8-12-16)21-19(23)24-13-15-9-5-3-6-10-15/h3,5-6,9-10,14,16-17H,4,7-8,11-13H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyUQBYHYLSJXPFLH-UHFFFAOYSA-N
MW332.44 g/mol
LogP3.39
Rot. Bonds6

About benzyl N-[1-(cyclohexylamino)-3-methyl-1-oxobutan-2-yl]carbamate

benzyl N-[1-(cyclohexylamino)-3-methyl-1-oxobutan-2-yl]carbamate (PubChem CID 4176929) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is benzyl N-[1-(cyclohexylamino)-3-methyl-1-oxobutan-2-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[1-(cyclohexylamino)-3-methyl-1-oxobutan-2-yl]carbamate
PubChem CID4176929
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Namebenzyl N-[1-(cyclohexylamino)-3-methyl-1-oxobutan-2-yl]carbamate
SMILESCC(C)C(NC(=O)OCc1ccccc1)C(=O)NC1CCCCC1
InChIInChI=1S/C19H28N2O3/c1-14(2)17(18(22)20-16-11-7-4-8-12-16)21-19(23)24-13-15-9-5-3-6-10-15/h3,5-6,9-10,14,16-17H,4,7-8,11-13H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyUQBYHYLSJXPFLH-UHFFFAOYSA-N
XLogP3.39
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of benzyl N-[1-(cyclohexylamino)-3-methyl-1-oxobutan-2-yl]carbamate?
The IUPAC name of benzyl N-[1-(cyclohexylamino)-3-methyl-1-oxobutan-2-yl]carbamate (CID 4176929) is benzyl N-[1-(cyclohexylamino)-3-methyl-1-oxobutan-2-yl]carbamate.
What is the SMILES notation for benzyl N-[1-(cyclohexylamino)-3-methyl-1-oxobutan-2-yl]carbamate?
The canonical SMILES for benzyl N-[1-(cyclohexylamino)-3-methyl-1-oxobutan-2-yl]carbamate is CC(C)C(NC(=O)OCc1ccccc1)C(=O)NC1CCCCC1.
What is the InChIKey of benzyl N-[1-(cyclohexylamino)-3-methyl-1-oxobutan-2-yl]carbamate?
The InChIKey is UQBYHYLSJXPFLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-14(2)17(18(22)20-16-11-7-4-8-12-16)21-19(23)24-13-15-9-5-3-6-10-15/h3,5-6,9-10,14,16-17H,4,7-8,11-13H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of benzyl N-[1-(cyclohexylamino)-3-methyl-1-oxobutan-2-yl]carbamate?
benzyl N-[1-(cyclohexylamino)-3-methyl-1-oxobutan-2-yl]carbamate has a molecular weight of 332.44 g/mol, XLogP of 3.39, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[1-(cyclohexylamino)-3-methyl-1-oxobutan-2-yl]carbamate is sourced from PubChem (CID 4176929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).