tert-butyl N-[4-amino-1-[[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-methylamino]-1,4-dioxobutan-2-yl]carbamate

C24H36N4O5 — CID 18049288

IUPACtert-butyl N-[4-amino-1-[[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-methylamino]-1,4-dioxobutan-2-yl]carbamate
SMILESCN(C(=O)C(CC(N)=O)NC(=O)OC(C)(C)C)C(C(=O)NC1CCCCC1)c1ccccc1
InChIInChI=1S/C24H36N4O5/c1-24(2,3)33-23(32)27-18(15-19(25)29)22(31)28(4)20(16-11-7-5-8-12-16)21(30)26-17-13-9-6-10-14-17/h5,7-8,11-12,17-18,20H,6,9-10,13-15H2,1-4H3,(H2,25,29)(H,26,30)(H,27,32)
InChIKeyOEKKXJRGBDKJCK-UHFFFAOYSA-N
MW460.58 g/mol
LogP2.40
Rot. Bonds8

About tert-butyl N-[4-amino-1-[[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-methylamino]-1,4-dioxobutan-2-yl]carbamate

tert-butyl N-[4-amino-1-[[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-methylamino]-1,4-dioxobutan-2-yl]carbamate (PubChem CID 18049288) has the molecular formula C24H36N4O5 and a molecular weight of 460.58 g/mol. Its IUPAC name is tert-butyl N-[4-amino-1-[[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-methylamino]-1,4-dioxobutan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-amino-1-[[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-methylamino]-1,4-dioxobutan-2-yl]carbamate
PubChem CID18049288
Molecular FormulaC24H36N4O5
Molecular Weight460.58 g/mol
Exact Mass460.27
IUPAC Nametert-butyl N-[4-amino-1-[[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-methylamino]-1,4-dioxobutan-2-yl]carbamate
SMILESCN(C(=O)C(CC(N)=O)NC(=O)OC(C)(C)C)C(C(=O)NC1CCCCC1)c1ccccc1
InChIInChI=1S/C24H36N4O5/c1-24(2,3)33-23(32)27-18(15-19(25)29)22(31)28(4)20(16-11-7-5-8-12-16)21(30)26-17-13-9-6-10-14-17/h5,7-8,11-12,17-18,20H,6,9-10,13-15H2,1-4H3,(H2,25,29)(H,26,30)(H,27,32)
InChIKeyOEKKXJRGBDKJCK-UHFFFAOYSA-N
XLogP2.40
TPSA130.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.58
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[4-amino-1-[[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-methylamino]-1,4-dioxobutan-2-yl]carbamate with MolForge

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Related Compounds

tert-butyl N-[4-amino-1-[[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-heptylamino]-1,4-dioxobutan-2-yl]carbamate
CID 18054418
tert-butyl N-[5-amino-1-[[2-(cyclohexylamino)-1-(3-methylphenyl)-2-oxoethyl]-methylamino]-1,5-dioxopentan-2-yl]carbamate
CID 18060733
tert-butyl N-[4-amino-1-[butan-2-yl-[2-(cyclohexylamino)-1-(4-ethylphenyl)-2-oxoethyl]amino]-1,4-dioxobutan-2-yl]carbamate
CID 18053143
tert-butyl N-[4-amino-1-[tert-butyl-[2-(cyclohexylamino)-1-(3-methylphenyl)-2-oxoethyl]amino]-1,4-dioxobutan-2-yl]carbamate
CID 18052468
tert-butyl N-[4-amino-1-[[2-(cyclohexylamino)-1-(4-ethylphenyl)-2-oxoethyl]-propylamino]-1,4-dioxobutan-2-yl]carbamate
CID 18051433
tert-butyl N-[4-amino-1-[[2-(cyclohexylamino)-1-(3-methylphenyl)-2-oxoethyl]-(2-hydroxyethyl)amino]-1,4-dioxobutan-2-yl]carbamate
CID 18051043
tert-butyl N-[1-[[2-(cyclohexylamino)-1-(3-hydroxyphenyl)-2-oxoethyl]-methylamino]-3-hydroxy-1-oxopropan-2-yl]carbamate
CID 18032263
tert-butyl N-[4-amino-1-[[2-(cyclohexylamino)-1-(4-methylphenyl)-2-oxoethyl]-(5-methylhexan-2-yl)amino]-1,4-dioxobutan-2-yl]carbamate
CID 18054193
tert-butyl N-[4-amino-1-[[2-(cyclohexylamino)-1-(3-hydroxyphenyl)-2-oxoethyl]-(2-hydroxyethyl)amino]-1,4-dioxobutan-2-yl]carbamate
CID 18051073
tert-butyl N-[4-amino-1-[cyclobutyl-[2-(cyclohexylamino)-1-(2-hydroxyphenyl)-2-oxoethyl]amino]-1,4-dioxobutan-2-yl]carbamate
CID 18051868
tert-butyl 2-[[2-[[4-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoyl]-methylamino]-2-phenylacetyl]amino]-3-phenylpropanoate
CID 18049295
tert-butyl N-[4-amino-1-[butyl-[2-(cyclohexylamino)-1-(3-methylphenyl)-2-oxoethyl]amino]-1,4-dioxobutan-2-yl]carbamate
CID 18052753

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-amino-1-[[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-methylamino]-1,4-dioxobutan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[4-amino-1-[[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-methylamino]-1,4-dioxobutan-2-yl]carbamate (CID 18049288) is tert-butyl N-[4-amino-1-[[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-methylamino]-1,4-dioxobutan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[4-amino-1-[[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-methylamino]-1,4-dioxobutan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[4-amino-1-[[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-methylamino]-1,4-dioxobutan-2-yl]carbamate is CN(C(=O)C(CC(N)=O)NC(=O)OC(C)(C)C)C(C(=O)NC1CCCCC1)c1ccccc1.
What is the InChIKey of tert-butyl N-[4-amino-1-[[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-methylamino]-1,4-dioxobutan-2-yl]carbamate?
The InChIKey is OEKKXJRGBDKJCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N4O5/c1-24(2,3)33-23(32)27-18(15-19(25)29)22(31)28(4)20(16-11-7-5-8-12-16)21(30)26-17-13-9-6-10-14-17/h5,7-8,11-12,17-18,20H,6,9-10,13-15H2,1-4H3,(H2,25,29)(H,26,30)(H,27,32).
What are the key properties of tert-butyl N-[4-amino-1-[[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-methylamino]-1,4-dioxobutan-2-yl]carbamate?
tert-butyl N-[4-amino-1-[[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-methylamino]-1,4-dioxobutan-2-yl]carbamate has a molecular weight of 460.58 g/mol, XLogP of 2.40, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-amino-1-[[2-(cyclohexylamino)-2-oxo-1-phenylethyl]-methylamino]-1,4-dioxobutan-2-yl]carbamate is sourced from PubChem (CID 18049288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).