tert-butyl N-[2-[3-[[2-(2-ethoxyphenoxy)acetyl]amino]propylamino]-2-oxoethyl]carbamate

C20H31N3O6 — CID 108918727

IUPACtert-butyl N-[2-[3-[[2-(2-ethoxyphenoxy)acetyl]amino]propylamino]-2-oxoethyl]carbamate
SMILESCCOc1ccccc1OCC(=O)NCCCNC(=O)CNC(=O)OC(C)(C)C
InChIInChI=1S/C20H31N3O6/c1-5-27-15-9-6-7-10-16(15)28-14-18(25)22-12-8-11-21-17(24)13-23-19(26)29-20(2,3)4/h6-7,9-10H,5,8,11-14H2,1-4H3,(H,21,24)(H,22,25)(H,23,26)
InChIKeyIBAWUQIFFWDCDG-UHFFFAOYSA-N
MW409.48 g/mol
LogP1.61
Rot. Bonds11

About tert-butyl N-[2-[3-[[2-(2-ethoxyphenoxy)acetyl]amino]propylamino]-2-oxoethyl]carbamate

tert-butyl N-[2-[3-[[2-(2-ethoxyphenoxy)acetyl]amino]propylamino]-2-oxoethyl]carbamate (PubChem CID 108918727) has the molecular formula C20H31N3O6 and a molecular weight of 409.48 g/mol. Its IUPAC name is tert-butyl N-[2-[3-[[2-(2-ethoxyphenoxy)acetyl]amino]propylamino]-2-oxoethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[3-[[2-(2-ethoxyphenoxy)acetyl]amino]propylamino]-2-oxoethyl]carbamate
PubChem CID108918727
Molecular FormulaC20H31N3O6
Molecular Weight409.48 g/mol
Exact Mass409.22
IUPAC Nametert-butyl N-[2-[3-[[2-(2-ethoxyphenoxy)acetyl]amino]propylamino]-2-oxoethyl]carbamate
SMILESCCOc1ccccc1OCC(=O)NCCCNC(=O)CNC(=O)OC(C)(C)C
InChIInChI=1S/C20H31N3O6/c1-5-27-15-9-6-7-10-16(15)28-14-18(25)22-12-8-11-21-17(24)13-23-19(26)29-20(2,3)4/h6-7,9-10H,5,8,11-14H2,1-4H3,(H,21,24)(H,22,25)(H,23,26)
InChIKeyIBAWUQIFFWDCDG-UHFFFAOYSA-N
XLogP1.61
TPSA114.99 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.48
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[2-[3-[[2-(2-methoxyphenoxy)acetyl]amino]propylamino]-2-oxoethyl]carbamate
CID 108918782
tert-butyl N-[2-[3-[[2-(2-ethoxyphenoxy)acetyl]amino]anilino]-2-oxoethyl]carbamate
CID 108917139
ethyl N-[2-[[2-(2-ethoxyphenoxy)acetyl]amino]ethyl]carbamate
CID 108572439
N-[2-[[2-(2-ethoxyphenoxy)acetyl]amino]ethyl]butanamide
CID 108572434
tert-butyl N-[2-[3-[[2-(2-fluorophenyl)acetyl]amino]propylamino]-2-oxoethyl]carbamate
CID 108918808
tert-butyl N-[2-[3-[(2-chlorobenzoyl)amino]propylamino]-2-oxoethyl]carbamate
CID 108918701
tert-butyl N-[2-[[4-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]methylamino]-2-oxoethyl]carbamate
CID 108917701
2-(2-ethoxyphenoxy)-N-[(2-methylpropan-2-yl)oxy]acetamide
CID 82726093
2-(2-ethoxyphenoxy)-N-[2-(2-methoxyphenoxy)ethyl]acetamide
CID 8961000
tert-butyl N-[2-[2-[[2-(2-methoxyphenyl)acetyl]amino]ethylamino]-2-oxoethyl]carbamate
CID 108916244
dimethyl 3-[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butylamino]-2-oxoethoxy]benzene-1,2-dicarboxylate
CID 155982391
2-cyano-N-[2-[[2-(2-ethoxyphenoxy)acetyl]amino]ethyl]acetamide
CID 108537298

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[3-[[2-(2-ethoxyphenoxy)acetyl]amino]propylamino]-2-oxoethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[3-[[2-(2-ethoxyphenoxy)acetyl]amino]propylamino]-2-oxoethyl]carbamate (CID 108918727) is tert-butyl N-[2-[3-[[2-(2-ethoxyphenoxy)acetyl]amino]propylamino]-2-oxoethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[3-[[2-(2-ethoxyphenoxy)acetyl]amino]propylamino]-2-oxoethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[3-[[2-(2-ethoxyphenoxy)acetyl]amino]propylamino]-2-oxoethyl]carbamate is CCOc1ccccc1OCC(=O)NCCCNC(=O)CNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-[3-[[2-(2-ethoxyphenoxy)acetyl]amino]propylamino]-2-oxoethyl]carbamate?
The InChIKey is IBAWUQIFFWDCDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O6/c1-5-27-15-9-6-7-10-16(15)28-14-18(25)22-12-8-11-21-17(24)13-23-19(26)29-20(2,3)4/h6-7,9-10H,5,8,11-14H2,1-4H3,(H,21,24)(H,22,25)(H,23,26).
What are the key properties of tert-butyl N-[2-[3-[[2-(2-ethoxyphenoxy)acetyl]amino]propylamino]-2-oxoethyl]carbamate?
tert-butyl N-[2-[3-[[2-(2-ethoxyphenoxy)acetyl]amino]propylamino]-2-oxoethyl]carbamate has a molecular weight of 409.48 g/mol, XLogP of 1.61, 11 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[3-[[2-(2-ethoxyphenoxy)acetyl]amino]propylamino]-2-oxoethyl]carbamate is sourced from PubChem (CID 108918727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).