tert-butyl N-[5-amino-1-[[1-(3-hydroxyphenyl)-2-oxo-2-(propan-2-ylamino)ethyl]-propylamino]-1,5-dioxopentan-2-yl]carbamate

C24H38N4O6 — CID 18062753

IUPACtert-butyl N-[5-amino-1-[[1-(3-hydroxyphenyl)-2-oxo-2-(propan-2-ylamino)ethyl]-propylamino]-1,5-dioxopentan-2-yl]carbamate
SMILESCCCN(C(=O)C(CCC(N)=O)NC(=O)OC(C)(C)C)C(C(=O)NC(C)C)c1cccc(O)c1
InChIInChI=1S/C24H38N4O6/c1-7-13-28(20(21(31)26-15(2)3)16-9-8-10-17(29)14-16)22(32)18(11-12-19(25)30)27-23(33)34-24(4,5)6/h8-10,14-15,18,20,29H,7,11-13H2,1-6H3,(H2,25,30)(H,26,31)(H,27,33)
InChIKeyAMMJBOSDEBCLFA-UHFFFAOYSA-N
MW478.59 g/mol
LogP2.36
Rot. Bonds11

About tert-butyl N-[5-amino-1-[[1-(3-hydroxyphenyl)-2-oxo-2-(propan-2-ylamino)ethyl]-propylamino]-1,5-dioxopentan-2-yl]carbamate

tert-butyl N-[5-amino-1-[[1-(3-hydroxyphenyl)-2-oxo-2-(propan-2-ylamino)ethyl]-propylamino]-1,5-dioxopentan-2-yl]carbamate (PubChem CID 18062753) has the molecular formula C24H38N4O6 and a molecular weight of 478.59 g/mol. Its IUPAC name is tert-butyl N-[5-amino-1-[[1-(3-hydroxyphenyl)-2-oxo-2-(propan-2-ylamino)ethyl]-propylamino]-1,5-dioxopentan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[5-amino-1-[[1-(3-hydroxyphenyl)-2-oxo-2-(propan-2-ylamino)ethyl]-propylamino]-1,5-dioxopentan-2-yl]carbamate
PubChem CID18062753
Molecular FormulaC24H38N4O6
Molecular Weight478.59 g/mol
Exact Mass478.28
IUPAC Nametert-butyl N-[5-amino-1-[[1-(3-hydroxyphenyl)-2-oxo-2-(propan-2-ylamino)ethyl]-propylamino]-1,5-dioxopentan-2-yl]carbamate
SMILESCCCN(C(=O)C(CCC(N)=O)NC(=O)OC(C)(C)C)C(C(=O)NC(C)C)c1cccc(O)c1
InChIInChI=1S/C24H38N4O6/c1-7-13-28(20(21(31)26-15(2)3)16-9-8-10-17(29)14-16)22(32)18(11-12-19(25)30)27-23(33)34-24(4,5)6/h8-10,14-15,18,20,29H,7,11-13H2,1-6H3,(H2,25,30)(H,26,31)(H,27,33)
InChIKeyAMMJBOSDEBCLFA-UHFFFAOYSA-N
XLogP2.36
TPSA151.06 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.59
LogP ≤ 52.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl N-[5-amino-1-[[1-(3-methylphenyl)-2-oxo-2-(propan-2-ylamino)ethyl]-propylamino]-1,5-dioxopentan-2-yl]carbamate
CID 18062723
ethyl 3-[[2-[[5-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoyl]-propylamino]-2-(3-hydroxyphenyl)acetyl]amino]propanoate
CID 18062766
tert-butyl N-[5-amino-1-[butyl-[1-(3-methylphenyl)-2-oxo-2-(propan-2-ylamino)ethyl]amino]-1,5-dioxopentan-2-yl]carbamate
CID 18064148
tert-butyl N-[5-amino-1-[ethyl-[1-(3-methylphenyl)-2-oxo-2-(propan-2-ylamino)ethyl]amino]-1,5-dioxopentan-2-yl]carbamate
CID 18061013
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-[5-amino-1-[heptyl-[1-(4-hydroxyphenyl)-2-oxo-2-(propan-2-ylamino)ethyl]amino]-1,5-dioxopentan-2-yl]carbamate
CID 18065903
tert-butyl N-[5-amino-1-[[2-(tert-butylamino)-1-(3-methylphenyl)-2-oxoethyl]-propylamino]-1,5-dioxopentan-2-yl]carbamate
CID 18062724
tert-butyl N-[5-amino-1-[[2-(benzylamino)-1-(3-hydroxyphenyl)-2-oxoethyl]-butylamino]-1,5-dioxopentan-2-yl]carbamate
CID 18064184
tert-butyl N-[5-amino-1-[tert-butyl-[1-(3-hydroxyphenyl)-2-oxo-2-(pentan-2-ylamino)ethyl]amino]-1,5-dioxopentan-2-yl]carbamate
CID 18063896
tert-butyl N-[4-amino-1-[2-hydroxyethyl-[1-(3-hydroxyphenyl)-2-oxo-2-(pentan-2-ylamino)ethyl]amino]-1,4-dioxobutan-2-yl]carbamate
CID 18051071
tert-butyl N-[1-[[1-(3-hydroxyphenyl)-2-oxo-2-(propan-2-ylamino)ethyl]-pentylamino]-4-methyl-1-oxopentan-2-yl]carbamate
CID 18047648
tert-butyl N-[5-amino-1-[[1-(3,4-dimethylphenyl)-2-oxo-2-(propan-2-ylamino)ethyl]-pentylamino]-1,5-dioxopentan-2-yl]carbamate
CID 18064898

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[5-amino-1-[[1-(3-hydroxyphenyl)-2-oxo-2-(propan-2-ylamino)ethyl]-propylamino]-1,5-dioxopentan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[5-amino-1-[[1-(3-hydroxyphenyl)-2-oxo-2-(propan-2-ylamino)ethyl]-propylamino]-1,5-dioxopentan-2-yl]carbamate (CID 18062753) is tert-butyl N-[5-amino-1-[[1-(3-hydroxyphenyl)-2-oxo-2-(propan-2-ylamino)ethyl]-propylamino]-1,5-dioxopentan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[5-amino-1-[[1-(3-hydroxyphenyl)-2-oxo-2-(propan-2-ylamino)ethyl]-propylamino]-1,5-dioxopentan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[5-amino-1-[[1-(3-hydroxyphenyl)-2-oxo-2-(propan-2-ylamino)ethyl]-propylamino]-1,5-dioxopentan-2-yl]carbamate is CCCN(C(=O)C(CCC(N)=O)NC(=O)OC(C)(C)C)C(C(=O)NC(C)C)c1cccc(O)c1.
What is the InChIKey of tert-butyl N-[5-amino-1-[[1-(3-hydroxyphenyl)-2-oxo-2-(propan-2-ylamino)ethyl]-propylamino]-1,5-dioxopentan-2-yl]carbamate?
The InChIKey is AMMJBOSDEBCLFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38N4O6/c1-7-13-28(20(21(31)26-15(2)3)16-9-8-10-17(29)14-16)22(32)18(11-12-19(25)30)27-23(33)34-24(4,5)6/h8-10,14-15,18,20,29H,7,11-13H2,1-6H3,(H2,25,30)(H,26,31)(H,27,33).
What are the key properties of tert-butyl N-[5-amino-1-[[1-(3-hydroxyphenyl)-2-oxo-2-(propan-2-ylamino)ethyl]-propylamino]-1,5-dioxopentan-2-yl]carbamate?
tert-butyl N-[5-amino-1-[[1-(3-hydroxyphenyl)-2-oxo-2-(propan-2-ylamino)ethyl]-propylamino]-1,5-dioxopentan-2-yl]carbamate has a molecular weight of 478.59 g/mol, XLogP of 2.36, 11 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[5-amino-1-[[1-(3-hydroxyphenyl)-2-oxo-2-(propan-2-ylamino)ethyl]-propylamino]-1,5-dioxopentan-2-yl]carbamate is sourced from PubChem (CID 18062753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).