tert-butyl N-[2-[2-[(4-ethoxybenzoyl)amino]anilino]-2-oxoethyl]carbamate

C22H27N3O5 — CID 108917328

IUPACtert-butyl N-[2-[2-[(4-ethoxybenzoyl)amino]anilino]-2-oxoethyl]carbamate
SMILESCCOc1ccc(C(=O)Nc2ccccc2NC(=O)CNC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C22H27N3O5/c1-5-29-16-12-10-15(11-13-16)20(27)25-18-9-7-6-8-17(18)24-19(26)14-23-21(28)30-22(2,3)4/h6-13H,5,14H2,1-4H3,(H,23,28)(H,24,26)(H,25,27)
InChIKeyQXQCDRBSIHDVSW-UHFFFAOYSA-N
MW413.47 g/mol
LogP3.80
Rot. Bonds7

About tert-butyl N-[2-[2-[(4-ethoxybenzoyl)amino]anilino]-2-oxoethyl]carbamate

tert-butyl N-[2-[2-[(4-ethoxybenzoyl)amino]anilino]-2-oxoethyl]carbamate (PubChem CID 108917328) has the molecular formula C22H27N3O5 and a molecular weight of 413.47 g/mol. Its IUPAC name is tert-butyl N-[2-[2-[(4-ethoxybenzoyl)amino]anilino]-2-oxoethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[2-[(4-ethoxybenzoyl)amino]anilino]-2-oxoethyl]carbamate
PubChem CID108917328
Molecular FormulaC22H27N3O5
Molecular Weight413.47 g/mol
Exact Mass413.20
IUPAC Nametert-butyl N-[2-[2-[(4-ethoxybenzoyl)amino]anilino]-2-oxoethyl]carbamate
SMILESCCOc1ccc(C(=O)Nc2ccccc2NC(=O)CNC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C22H27N3O5/c1-5-29-16-12-10-15(11-13-16)20(27)25-18-9-7-6-8-17(18)24-19(26)14-23-21(28)30-22(2,3)4/h6-13H,5,14H2,1-4H3,(H,23,28)(H,24,26)(H,25,27)
InChIKeyQXQCDRBSIHDVSW-UHFFFAOYSA-N
XLogP3.80
TPSA105.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.47
LogP ≤ 53.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[2-[2-[(4-ethoxybenzoyl)amino]anilino]-2-oxoethyl]carbamate with MolForge

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Related Compounds

tert-butyl N-[2-[2-[(3-bromobenzoyl)amino]anilino]-2-oxoethyl]carbamate
CID 108917313
tert-butyl N-[2-[4-[[(4-ethoxybenzoyl)amino]methyl]anilino]-2-oxoethyl]carbamate
CID 108917576
tert-butyl N-[2-[2-[(3-methylbenzoyl)amino]anilino]-2-oxoethyl]carbamate
CID 108917372
N-(2-acetamidophenyl)-4-ethoxybenzamide
CID 891466
tert-butyl N-[2-oxo-2-[2-(4-phenoxybutanoylamino)anilino]ethyl]carbamate
CID 108917353
tert-butyl N-[2-[2-(2,2-dimethylpropanoylamino)anilino]-2-oxoethyl]carbamate
CID 108917414
tert-butyl N-[3-oxo-3-[2-[(4-phenylbenzoyl)amino]anilino]propyl]carbamate
CID 108920192
tert-butyl N-[3-[2-[(4-fluorobenzoyl)amino]anilino]-3-oxopropyl]carbamate
CID 108920191
tert-butyl N-[2-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]benzoyl]amino]phenyl]carbamate
CID 58930614
tert-butyl N-[2-oxo-2-[2-[(2,3,4-trifluorobenzoyl)amino]anilino]ethyl]carbamate
CID 108917393
tert-butyl N-[2-[2-[[[2-(4-methylphenoxy)acetyl]amino]methyl]anilino]-2-oxoethyl]carbamate
CID 108918105
tert-butyl N-[2-oxo-2-[3-[(3,4,5-triethoxybenzoyl)amino]anilino]ethyl]carbamate
CID 108917111

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[2-[(4-ethoxybenzoyl)amino]anilino]-2-oxoethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[2-[(4-ethoxybenzoyl)amino]anilino]-2-oxoethyl]carbamate (CID 108917328) is tert-butyl N-[2-[2-[(4-ethoxybenzoyl)amino]anilino]-2-oxoethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[2-[(4-ethoxybenzoyl)amino]anilino]-2-oxoethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[2-[(4-ethoxybenzoyl)amino]anilino]-2-oxoethyl]carbamate is CCOc1ccc(C(=O)Nc2ccccc2NC(=O)CNC(=O)OC(C)(C)C)cc1.
What is the InChIKey of tert-butyl N-[2-[2-[(4-ethoxybenzoyl)amino]anilino]-2-oxoethyl]carbamate?
The InChIKey is QXQCDRBSIHDVSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O5/c1-5-29-16-12-10-15(11-13-16)20(27)25-18-9-7-6-8-17(18)24-19(26)14-23-21(28)30-22(2,3)4/h6-13H,5,14H2,1-4H3,(H,23,28)(H,24,26)(H,25,27).
What are the key properties of tert-butyl N-[2-[2-[(4-ethoxybenzoyl)amino]anilino]-2-oxoethyl]carbamate?
tert-butyl N-[2-[2-[(4-ethoxybenzoyl)amino]anilino]-2-oxoethyl]carbamate has a molecular weight of 413.47 g/mol, XLogP of 3.80, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[2-[(4-ethoxybenzoyl)amino]anilino]-2-oxoethyl]carbamate is sourced from PubChem (CID 108917328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).