tert-butyl N-[2-[[2-[3-(3-chloro-2-methylphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]amino]ethyl]carbamate

C19H27ClN4O4 — CID 59434021

IUPACtert-butyl N-[2-[[2-[3-(3-chloro-2-methylphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]amino]ethyl]carbamate
SMILESCc1c(Cl)cccc1N1CN(C(=O)CNCCNC(=O)OC(C)(C)C)CC1=O
InChIInChI=1S/C19H27ClN4O4/c1-13-14(20)6-5-7-15(13)24-12-23(11-17(24)26)16(25)10-21-8-9-22-18(27)28-19(2,3)4/h5-7,21H,8-12H2,1-4H3,(H,22,27)
InChIKeyXIXXEPZEILJQOE-UHFFFAOYSA-N
MW410.90 g/mol
LogP1.90
Rot. Bonds6

About tert-butyl N-[2-[[2-[3-(3-chloro-2-methylphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]amino]ethyl]carbamate

tert-butyl N-[2-[[2-[3-(3-chloro-2-methylphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]amino]ethyl]carbamate (PubChem CID 59434021) has the molecular formula C19H27ClN4O4 and a molecular weight of 410.90 g/mol. Its IUPAC name is tert-butyl N-[2-[[2-[3-(3-chloro-2-methylphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]amino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[[2-[3-(3-chloro-2-methylphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]amino]ethyl]carbamate
PubChem CID59434021
Molecular FormulaC19H27ClN4O4
Molecular Weight410.90 g/mol
Exact Mass410.17
IUPAC Nametert-butyl N-[2-[[2-[3-(3-chloro-2-methylphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]amino]ethyl]carbamate
SMILESCc1c(Cl)cccc1N1CN(C(=O)CNCCNC(=O)OC(C)(C)C)CC1=O
InChIInChI=1S/C19H27ClN4O4/c1-13-14(20)6-5-7-15(13)24-12-23(11-17(24)26)16(25)10-21-8-9-22-18(27)28-19(2,3)4/h5-7,21H,8-12H2,1-4H3,(H,22,27)
InChIKeyXIXXEPZEILJQOE-UHFFFAOYSA-N
XLogP1.90
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.90
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[[2-[3-(3-chloro-2-methylphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]amino]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[[2-[3-(3-chloro-2-methylphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]amino]ethyl]carbamate (CID 59434021) is tert-butyl N-[2-[[2-[3-(3-chloro-2-methylphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]amino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[[2-[3-(3-chloro-2-methylphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]amino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[[2-[3-(3-chloro-2-methylphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]amino]ethyl]carbamate is Cc1c(Cl)cccc1N1CN(C(=O)CNCCNC(=O)OC(C)(C)C)CC1=O.
What is the InChIKey of tert-butyl N-[2-[[2-[3-(3-chloro-2-methylphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]amino]ethyl]carbamate?
The InChIKey is XIXXEPZEILJQOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27ClN4O4/c1-13-14(20)6-5-7-15(13)24-12-23(11-17(24)26)16(25)10-21-8-9-22-18(27)28-19(2,3)4/h5-7,21H,8-12H2,1-4H3,(H,22,27).
What are the key properties of tert-butyl N-[2-[[2-[3-(3-chloro-2-methylphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]amino]ethyl]carbamate?
tert-butyl N-[2-[[2-[3-(3-chloro-2-methylphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]amino]ethyl]carbamate has a molecular weight of 410.90 g/mol, XLogP of 1.90, 6 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-[3-(3-chloro-2-methylphenyl)-4-oxoimidazolidin-1-yl]-2-oxoethyl]amino]ethyl]carbamate is sourced from PubChem (CID 59434021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).