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

C26H40N4O5 — CID 18063249

IUPACtert-butyl N-[5-amino-1-[[2-(tert-butylamino)-2-oxo-1-phenylethyl]-cyclobutylamino]-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)C1CCC1
InChIInChI=1S/C26H40N4O5/c1-25(2,3)29-22(32)21(17-11-8-7-9-12-17)30(18-13-10-14-18)23(33)19(15-16-20(27)31)28-24(34)35-26(4,5)6/h7-9,11-12,18-19,21H,10,13-16H2,1-6H3,(H2,27,31)(H,28,34)(H,29,32)
InChIKeyJXIWQHZAWQOHSD-UHFFFAOYSA-N
MW488.63 g/mol
LogP3.18
Rot. Bonds9

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

tert-butyl N-[5-amino-1-[[2-(tert-butylamino)-2-oxo-1-phenylethyl]-cyclobutylamino]-1,5-dioxopentan-2-yl]carbamate (PubChem CID 18063249) has the molecular formula C26H40N4O5 and a molecular weight of 488.63 g/mol. Its IUPAC name is tert-butyl N-[5-amino-1-[[2-(tert-butylamino)-2-oxo-1-phenylethyl]-cyclobutylamino]-1,5-dioxopentan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[5-amino-1-[[2-(tert-butylamino)-2-oxo-1-phenylethyl]-cyclobutylamino]-1,5-dioxopentan-2-yl]carbamate
PubChem CID18063249
Molecular FormulaC26H40N4O5
Molecular Weight488.63 g/mol
Exact Mass488.30
IUPAC Nametert-butyl N-[5-amino-1-[[2-(tert-butylamino)-2-oxo-1-phenylethyl]-cyclobutylamino]-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)C1CCC1
InChIInChI=1S/C26H40N4O5/c1-25(2,3)29-22(32)21(17-11-8-7-9-12-17)30(18-13-10-14-18)23(33)19(15-16-20(27)31)28-24(34)35-26(4,5)6/h7-9,11-12,18-19,21H,10,13-16H2,1-6H3,(H2,27,31)(H,28,34)(H,29,32)
InChIKeyJXIWQHZAWQOHSD-UHFFFAOYSA-N
XLogP3.18
TPSA130.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.63
LogP ≤ 53.18
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]-cyclopropylamino]-1,5-dioxopentan-2-yl]carbamate
CID 18062109
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-[cyclobutyl-[2-oxo-2-(pentan-2-ylamino)-1-phenylethyl]amino]-1,5-dioxopentan-2-yl]carbamate
CID 18063251
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-[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-[cyclopropyl-[2-(2,6-dimethylanilino)-2-oxo-1-phenylethyl]amino]-1,5-dioxopentan-2-yl]carbamate
CID 18062118
tert-butyl N-[5-amino-1-[cyclobutyl-[1-(4-hydroxyphenyl)-2-(2-methylanilino)-2-oxoethyl]amino]-1,5-dioxopentan-2-yl]carbamate
CID 18063345
tert-butyl N-[5-amino-1-[cyclobutyl-[1-(3-hydroxyphenyl)-2-oxo-2-(propan-2-ylamino)ethyl]amino]-1,5-dioxopentan-2-yl]carbamate
CID 18063323
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-[cyclopropyl-[1-(4-methylphenyl)-2-oxo-2-(propan-2-ylamino)ethyl]amino]-1,5-dioxopentan-2-yl]carbamate
CID 18062168
tert-butyl N-[5-amino-1-[cyclobutyl-[1-(3-ethenylphenyl)-2-(2-methylanilino)-2-oxoethyl]amino]-1,5-dioxopentan-2-yl]carbamate
CID 18063390

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[5-amino-1-[[2-(tert-butylamino)-2-oxo-1-phenylethyl]-cyclobutylamino]-1,5-dioxopentan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[5-amino-1-[[2-(tert-butylamino)-2-oxo-1-phenylethyl]-cyclobutylamino]-1,5-dioxopentan-2-yl]carbamate (CID 18063249) is tert-butyl N-[5-amino-1-[[2-(tert-butylamino)-2-oxo-1-phenylethyl]-cyclobutylamino]-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]-cyclobutylamino]-1,5-dioxopentan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[5-amino-1-[[2-(tert-butylamino)-2-oxo-1-phenylethyl]-cyclobutylamino]-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)C1CCC1.
What is the InChIKey of tert-butyl N-[5-amino-1-[[2-(tert-butylamino)-2-oxo-1-phenylethyl]-cyclobutylamino]-1,5-dioxopentan-2-yl]carbamate?
The InChIKey is JXIWQHZAWQOHSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H40N4O5/c1-25(2,3)29-22(32)21(17-11-8-7-9-12-17)30(18-13-10-14-18)23(33)19(15-16-20(27)31)28-24(34)35-26(4,5)6/h7-9,11-12,18-19,21H,10,13-16H2,1-6H3,(H2,27,31)(H,28,34)(H,29,32).
What are the key properties of tert-butyl N-[5-amino-1-[[2-(tert-butylamino)-2-oxo-1-phenylethyl]-cyclobutylamino]-1,5-dioxopentan-2-yl]carbamate?
tert-butyl N-[5-amino-1-[[2-(tert-butylamino)-2-oxo-1-phenylethyl]-cyclobutylamino]-1,5-dioxopentan-2-yl]carbamate has a molecular weight of 488.63 g/mol, XLogP of 3.18, 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]-cyclobutylamino]-1,5-dioxopentan-2-yl]carbamate is sourced from PubChem (CID 18063249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).