tert-butyl N-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]-N-[2-oxo-2-(2-phenylethylamino)ethyl]carbamate

C26H35N3O5 — CID 10742955

IUPACtert-butyl N-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]-N-[2-oxo-2-(2-phenylethylamino)ethyl]carbamate
SMILESCOc1ccc(CCNC(=O)CN(CC(=O)NCCc2ccccc2)C(=O)OC(C)(C)C)cc1
InChIInChI=1S/C26H35N3O5/c1-26(2,3)34-25(32)29(18-23(30)27-16-14-20-8-6-5-7-9-20)19-24(31)28-17-15-21-10-12-22(33-4)13-11-21/h5-13H,14-19H2,1-4H3,(H,27,30)(H,28,31)
InChIKeyUZBJYHQJMYZFDM-UHFFFAOYSA-N
MW469.58 g/mol
LogP2.95
Rot. Bonds11

About tert-butyl N-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]-N-[2-oxo-2-(2-phenylethylamino)ethyl]carbamate

tert-butyl N-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]-N-[2-oxo-2-(2-phenylethylamino)ethyl]carbamate (PubChem CID 10742955) has the molecular formula C26H35N3O5 and a molecular weight of 469.58 g/mol. Its IUPAC name is tert-butyl N-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]-N-[2-oxo-2-(2-phenylethylamino)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]-N-[2-oxo-2-(2-phenylethylamino)ethyl]carbamate
PubChem CID10742955
Molecular FormulaC26H35N3O5
Molecular Weight469.58 g/mol
Exact Mass469.26
IUPAC Nametert-butyl N-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]-N-[2-oxo-2-(2-phenylethylamino)ethyl]carbamate
SMILESCOc1ccc(CCNC(=O)CN(CC(=O)NCCc2ccccc2)C(=O)OC(C)(C)C)cc1
InChIInChI=1S/C26H35N3O5/c1-26(2,3)34-25(32)29(18-23(30)27-16-14-20-8-6-5-7-9-20)19-24(31)28-17-15-21-10-12-22(33-4)13-11-21/h5-13H,14-19H2,1-4H3,(H,27,30)(H,28,31)
InChIKeyUZBJYHQJMYZFDM-UHFFFAOYSA-N
XLogP2.95
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.58
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]-4-[4-[[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]-[2-oxo-2-(2-phenylethylamino)ethyl]carbamoyl]phenyl]-N-[2-oxo-2-(2-phenylethylamino)ethyl]benzamide
CID 10629682
N-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]-3-[3-[[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]-[2-oxo-2-(2-phenylethylamino)ethyl]carbamoyl]phenyl]-N-[2-oxo-2-(2-phenylethylamino)ethyl]benzamide
CID 11803959
tert-butyl N-[3-[3-(4-methoxyphenyl)propanoylamino]propyl]-N-[6-[3-[3-(4-methoxyphenyl)propanoylamino]propyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]hexyl]carbamate
CID 86577062
N-[2-(4-methoxyphenyl)ethyl]-2-[methyl-[(2-methylphenyl)methyl]amino]acetamide
CID 26510312
2-[benzyl(methylsulfonyl)amino]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 113150436
N-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]-2-phenylacetamide
CID 27548820
tert-butyl 6-(4-methoxyphenyl)-3-[[2-oxo-2-(2-phenylethylamino)ethyl]carbamoyl]hexanoate;toluene
CID 143862478
methyl N-methoxycarbonyl-N-[2-oxo-2-(2-phenylethylamino)ethyl]carbamate
CID 122198754
2-[[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]amino]-2-methylpropanoic acid
CID 65264125
N-[2-(4-methoxyphenyl)ethyl]-3,3,3-triphenylpropanamide
CID 11259109
N-[2-(4-methoxyphenyl)ethyl]-2-[(4-methoxyphenyl)methyl-methylamino]acetamide
CID 8761409
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-[(2-phenylacetyl)amino]acetate
CID 40692952

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]-N-[2-oxo-2-(2-phenylethylamino)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]-N-[2-oxo-2-(2-phenylethylamino)ethyl]carbamate (CID 10742955) is tert-butyl N-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]-N-[2-oxo-2-(2-phenylethylamino)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]-N-[2-oxo-2-(2-phenylethylamino)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]-N-[2-oxo-2-(2-phenylethylamino)ethyl]carbamate is COc1ccc(CCNC(=O)CN(CC(=O)NCCc2ccccc2)C(=O)OC(C)(C)C)cc1.
What is the InChIKey of tert-butyl N-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]-N-[2-oxo-2-(2-phenylethylamino)ethyl]carbamate?
The InChIKey is UZBJYHQJMYZFDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3O5/c1-26(2,3)34-25(32)29(18-23(30)27-16-14-20-8-6-5-7-9-20)19-24(31)28-17-15-21-10-12-22(33-4)13-11-21/h5-13H,14-19H2,1-4H3,(H,27,30)(H,28,31).
What are the key properties of tert-butyl N-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]-N-[2-oxo-2-(2-phenylethylamino)ethyl]carbamate?
tert-butyl N-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]-N-[2-oxo-2-(2-phenylethylamino)ethyl]carbamate has a molecular weight of 469.58 g/mol, XLogP of 2.95, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]-N-[2-oxo-2-(2-phenylethylamino)ethyl]carbamate is sourced from PubChem (CID 10742955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).