tert-butyl N-[2-[butan-2-yl-[2-(tert-butylamino)-1-(2-methylphenyl)-2-oxoethyl]amino]-2-oxoethyl]carbamate

C24H39N3O4 — CID 18018819

IUPACtert-butyl N-[2-[butan-2-yl-[2-(tert-butylamino)-1-(2-methylphenyl)-2-oxoethyl]amino]-2-oxoethyl]carbamate
SMILESCCC(C)N(C(=O)CNC(=O)OC(C)(C)C)C(C(=O)NC(C)(C)C)c1ccccc1C
InChIInChI=1S/C24H39N3O4/c1-10-17(3)27(19(28)15-25-22(30)31-24(7,8)9)20(21(29)26-23(4,5)6)18-14-12-11-13-16(18)2/h11-14,17,20H,10,15H2,1-9H3,(H,25,30)(H,26,29)
InChIKeyJFKICNGIKHASAP-UHFFFAOYSA-N
MW433.59 g/mol
LogP4.10
Rot. Bonds7

About tert-butyl N-[2-[butan-2-yl-[2-(tert-butylamino)-1-(2-methylphenyl)-2-oxoethyl]amino]-2-oxoethyl]carbamate

tert-butyl N-[2-[butan-2-yl-[2-(tert-butylamino)-1-(2-methylphenyl)-2-oxoethyl]amino]-2-oxoethyl]carbamate (PubChem CID 18018819) has the molecular formula C24H39N3O4 and a molecular weight of 433.59 g/mol. Its IUPAC name is tert-butyl N-[2-[butan-2-yl-[2-(tert-butylamino)-1-(2-methylphenyl)-2-oxoethyl]amino]-2-oxoethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[butan-2-yl-[2-(tert-butylamino)-1-(2-methylphenyl)-2-oxoethyl]amino]-2-oxoethyl]carbamate
PubChem CID18018819
Molecular FormulaC24H39N3O4
Molecular Weight433.59 g/mol
Exact Mass433.29
IUPAC Nametert-butyl N-[2-[butan-2-yl-[2-(tert-butylamino)-1-(2-methylphenyl)-2-oxoethyl]amino]-2-oxoethyl]carbamate
SMILESCCC(C)N(C(=O)CNC(=O)OC(C)(C)C)C(C(=O)NC(C)(C)C)c1ccccc1C
InChIInChI=1S/C24H39N3O4/c1-10-17(3)27(19(28)15-25-22(30)31-24(7,8)9)20(21(29)26-23(4,5)6)18-14-12-11-13-16(18)2/h11-14,17,20H,10,15H2,1-9H3,(H,25,30)(H,26,29)
InChIKeyJFKICNGIKHASAP-UHFFFAOYSA-N
XLogP4.10
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.59
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[2-[butan-2-yl-[2-(tert-butylamino)-1-(2-methylphenyl)-2-oxoethyl]amino]-2-oxoethyl]carbamate with MolForge

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Related Compounds

tert-butyl N-[2-[[2-(butylamino)-1-(2-methylphenyl)-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]carbamate
CID 18017395
tert-butyl N-[2-[butan-2-yl-[1-(2,3-dimethylphenyl)-2-(2-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]carbamate
CID 18019005
methyl 2-[[2-[butan-2-yl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]-2-(2,3-dimethylphenyl)acetyl]amino]acetate
CID 18019012
tert-butyl N-[2-[butan-2-yl-[2-(tert-butylamino)-1-(4-hydroxyphenyl)-2-oxoethyl]amino]-2-oxoethyl]carbamate
CID 18018879
tert-butyl N-[2-[[2-(tert-butylamino)-1-(2-methylphenyl)-2-oxoethyl]-hexylamino]-2-oxoethyl]carbamate
CID 18019674
tert-butyl N-[2-[[2-(benzylamino)-1-(2-hydroxyphenyl)-2-oxoethyl]-butan-2-ylamino]-2-oxoethyl]carbamate
CID 18018809
tert-butyl N-[2-[butan-2-yl-[1-(2,5-dimethylphenyl)-2-oxo-2-(propan-2-ylamino)ethyl]amino]-2-oxoethyl]carbamate
CID 18019043
tert-butyl N-[1-[[2-(tert-butylamino)-1-(2-methylphenyl)-2-oxoethyl]-propan-2-ylamino]-3-methyl-1-oxopentan-2-yl]carbamate
CID 18023094
tert-butyl N-[2-[butan-2-yl-[2-(tert-butylamino)-1-(3-ethenylphenyl)-2-oxoethyl]amino]-2-oxoethyl]carbamate
CID 18018924
tert-butyl N-[2-[[2-(tert-butylamino)-1-(2,3-dimethylphenyl)-2-oxoethyl]-ethylamino]-2-oxoethyl]carbamate
CID 18015579
tert-butyl 2-[[2-[butan-2-yl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]-2-(2,3-dimethylphenyl)acetyl]amino]-3-phenylpropanoate
CID 18019010
tert-butyl N-[2-[[2-(tert-butylamino)-1-(4-methylphenyl)-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]carbamate
CID 18017424

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[butan-2-yl-[2-(tert-butylamino)-1-(2-methylphenyl)-2-oxoethyl]amino]-2-oxoethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[butan-2-yl-[2-(tert-butylamino)-1-(2-methylphenyl)-2-oxoethyl]amino]-2-oxoethyl]carbamate (CID 18018819) is tert-butyl N-[2-[butan-2-yl-[2-(tert-butylamino)-1-(2-methylphenyl)-2-oxoethyl]amino]-2-oxoethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[butan-2-yl-[2-(tert-butylamino)-1-(2-methylphenyl)-2-oxoethyl]amino]-2-oxoethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[butan-2-yl-[2-(tert-butylamino)-1-(2-methylphenyl)-2-oxoethyl]amino]-2-oxoethyl]carbamate is CCC(C)N(C(=O)CNC(=O)OC(C)(C)C)C(C(=O)NC(C)(C)C)c1ccccc1C.
What is the InChIKey of tert-butyl N-[2-[butan-2-yl-[2-(tert-butylamino)-1-(2-methylphenyl)-2-oxoethyl]amino]-2-oxoethyl]carbamate?
The InChIKey is JFKICNGIKHASAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H39N3O4/c1-10-17(3)27(19(28)15-25-22(30)31-24(7,8)9)20(21(29)26-23(4,5)6)18-14-12-11-13-16(18)2/h11-14,17,20H,10,15H2,1-9H3,(H,25,30)(H,26,29).
What are the key properties of tert-butyl N-[2-[butan-2-yl-[2-(tert-butylamino)-1-(2-methylphenyl)-2-oxoethyl]amino]-2-oxoethyl]carbamate?
tert-butyl N-[2-[butan-2-yl-[2-(tert-butylamino)-1-(2-methylphenyl)-2-oxoethyl]amino]-2-oxoethyl]carbamate has a molecular weight of 433.59 g/mol, XLogP of 4.10, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[butan-2-yl-[2-(tert-butylamino)-1-(2-methylphenyl)-2-oxoethyl]amino]-2-oxoethyl]carbamate is sourced from PubChem (CID 18018819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).