tert-butyl N-[5-amino-1-[[2-(tert-butylamino)-2-oxo-1-phenylethyl]-cyclopropylamino]-1,5-dioxopentan-2-yl]carbamate

C25H38N4O5 — CID 18062109

IUPACtert-butyl N-[5-amino-1-[[2-(tert-butylamino)-2-oxo-1-phenylethyl]-cyclopropylamino]-1,5-dioxopentan-2-yl]carbamate
SMILESCC(C)(C)NC(=O)C(c1ccccc1)N(C(=O)C(CCC(N)=O)NC(=O)OC(C)(C)C)C1CC1
InChIInChI=1S/C25H38N4O5/c1-24(2,3)28-21(31)20(16-10-8-7-9-11-16)29(17-12-13-17)22(32)18(14-15-19(26)30)27-23(33)34-25(4,5)6/h7-11,17-18,20H,12-15H2,1-6H3,(H2,26,30)(H,27,33)(H,28,31)
InChIKeyWUUWCHRPTBFMKS-UHFFFAOYSA-N
MW474.60 g/mol
LogP2.79
Rot. Bonds9

About tert-butyl N-[5-amino-1-[[2-(tert-butylamino)-2-oxo-1-phenylethyl]-cyclopropylamino]-1,5-dioxopentan-2-yl]carbamate

tert-butyl N-[5-amino-1-[[2-(tert-butylamino)-2-oxo-1-phenylethyl]-cyclopropylamino]-1,5-dioxopentan-2-yl]carbamate (PubChem CID 18062109) has the molecular formula C25H38N4O5 and a molecular weight of 474.60 g/mol. Its IUPAC name is tert-butyl N-[5-amino-1-[[2-(tert-butylamino)-2-oxo-1-phenylethyl]-cyclopropylamino]-1,5-dioxopentan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[5-amino-1-[[2-(tert-butylamino)-2-oxo-1-phenylethyl]-cyclopropylamino]-1,5-dioxopentan-2-yl]carbamate
PubChem CID18062109
Molecular FormulaC25H38N4O5
Molecular Weight474.60 g/mol
Exact Mass474.28
IUPAC Nametert-butyl N-[5-amino-1-[[2-(tert-butylamino)-2-oxo-1-phenylethyl]-cyclopropylamino]-1,5-dioxopentan-2-yl]carbamate
SMILESCC(C)(C)NC(=O)C(c1ccccc1)N(C(=O)C(CCC(N)=O)NC(=O)OC(C)(C)C)C1CC1
InChIInChI=1S/C25H38N4O5/c1-24(2,3)28-21(31)20(16-10-8-7-9-11-16)29(17-12-13-17)22(32)18(14-15-19(26)30)27-23(33)34-25(4,5)6/h7-11,17-18,20H,12-15H2,1-6H3,(H2,26,30)(H,27,33)(H,28,31)
InChIKeyWUUWCHRPTBFMKS-UHFFFAOYSA-N
XLogP2.79
TPSA130.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.60
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[5-amino-1-[[2-(tert-butylamino)-2-oxo-1-phenylethyl]-cyclobutylamino]-1,5-dioxopentan-2-yl]carbamate
CID 18063249
tert-butyl N-[5-amino-1-[cyclopropyl-[2-oxo-1-phenyl-2-(propan-2-ylamino)ethyl]amino]-1,5-dioxopentan-2-yl]carbamate
CID 18062108
tert-butyl N-[5-amino-1-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxo-1-phenylethyl]amino]-1,5-dioxopentan-2-yl]carbamate
CID 18062118
tert-butyl N-[1-[[2-(tert-butylamino)-2-oxo-1-phenylethyl]-cyclopropylamino]-4-methyl-1-oxopentan-2-yl]carbamate
CID 18045009
tert-butyl N-[5-amino-1-[cyclobutyl-[2-oxo-2-(pentan-2-ylamino)-1-phenylethyl]amino]-1,5-dioxopentan-2-yl]carbamate
CID 18063251
tert-butyl N-[5-amino-1-[[2-(tert-butylamino)-1-(2-hydroxy-3-methylphenyl)-2-oxoethyl]-cyclopropylamino]-1,5-dioxopentan-2-yl]carbamate
CID 18062289
tert-butyl N-[5-amino-1-[cyclobutyl-[2-(2,6-dimethylanilino)-2-oxo-1-phenylethyl]amino]-1,5-dioxopentan-2-yl]carbamate
CID 18063258
tert-butyl N-[5-amino-1-[cyclopropyl-[1-(4-methylphenyl)-2-oxo-2-(propan-2-ylamino)ethyl]amino]-1,5-dioxopentan-2-yl]carbamate
CID 18062168
tert-butyl N-[1-[[2-(tert-butylamino)-2-oxo-1-phenylethyl]-cyclobutylamino]-4-methyl-1-oxopentan-2-yl]carbamate
CID 18046149
tert-butyl N-[5-amino-1-[cyclobutyl-[2-(4-methoxyanilino)-2-oxo-1-phenylethyl]amino]-1,5-dioxopentan-2-yl]carbamate
CID 18063259
tert-butyl N-[5-amino-1-[[2-(tert-butylamino)-1-(3-methylphenyl)-2-oxoethyl]-(2-methylcyclopropyl)amino]-1,5-dioxopentan-2-yl]carbamate
CID 18063579
tert-butyl N-[5-amino-1-[cyclopropyl-[2-(2-methylanilino)-1-(2-methylphenyl)-2-oxoethyl]amino]-1,5-dioxopentan-2-yl]carbamate
CID 18062145

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[5-amino-1-[[2-(tert-butylamino)-2-oxo-1-phenylethyl]-cyclopropylamino]-1,5-dioxopentan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[5-amino-1-[[2-(tert-butylamino)-2-oxo-1-phenylethyl]-cyclopropylamino]-1,5-dioxopentan-2-yl]carbamate (CID 18062109) is tert-butyl N-[5-amino-1-[[2-(tert-butylamino)-2-oxo-1-phenylethyl]-cyclopropylamino]-1,5-dioxopentan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[5-amino-1-[[2-(tert-butylamino)-2-oxo-1-phenylethyl]-cyclopropylamino]-1,5-dioxopentan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[5-amino-1-[[2-(tert-butylamino)-2-oxo-1-phenylethyl]-cyclopropylamino]-1,5-dioxopentan-2-yl]carbamate is CC(C)(C)NC(=O)C(c1ccccc1)N(C(=O)C(CCC(N)=O)NC(=O)OC(C)(C)C)C1CC1.
What is the InChIKey of tert-butyl N-[5-amino-1-[[2-(tert-butylamino)-2-oxo-1-phenylethyl]-cyclopropylamino]-1,5-dioxopentan-2-yl]carbamate?
The InChIKey is WUUWCHRPTBFMKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H38N4O5/c1-24(2,3)28-21(31)20(16-10-8-7-9-11-16)29(17-12-13-17)22(32)18(14-15-19(26)30)27-23(33)34-25(4,5)6/h7-11,17-18,20H,12-15H2,1-6H3,(H2,26,30)(H,27,33)(H,28,31).
What are the key properties of tert-butyl N-[5-amino-1-[[2-(tert-butylamino)-2-oxo-1-phenylethyl]-cyclopropylamino]-1,5-dioxopentan-2-yl]carbamate?
tert-butyl N-[5-amino-1-[[2-(tert-butylamino)-2-oxo-1-phenylethyl]-cyclopropylamino]-1,5-dioxopentan-2-yl]carbamate has a molecular weight of 474.60 g/mol, XLogP of 2.79, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[5-amino-1-[[2-(tert-butylamino)-2-oxo-1-phenylethyl]-cyclopropylamino]-1,5-dioxopentan-2-yl]carbamate is sourced from PubChem (CID 18062109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).