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

C23H29N3O5 — CID 108917576

IUPACtert-butyl N-[2-[4-[[(4-ethoxybenzoyl)amino]methyl]anilino]-2-oxoethyl]carbamate
SMILESCCOc1ccc(C(=O)NCc2ccc(NC(=O)CNC(=O)OC(C)(C)C)cc2)cc1
InChIInChI=1S/C23H29N3O5/c1-5-30-19-12-8-17(9-13-19)21(28)24-14-16-6-10-18(11-7-16)26-20(27)15-25-22(29)31-23(2,3)4/h6-13H,5,14-15H2,1-4H3,(H,24,28)(H,25,29)(H,26,27)
InChIKeyPITAVFHMOYJJMC-UHFFFAOYSA-N
MW427.50 g/mol
LogP3.48
Rot. Bonds8

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

tert-butyl N-[2-[4-[[(4-ethoxybenzoyl)amino]methyl]anilino]-2-oxoethyl]carbamate (PubChem CID 108917576) has the molecular formula C23H29N3O5 and a molecular weight of 427.50 g/mol. Its IUPAC name is tert-butyl N-[2-[4-[[(4-ethoxybenzoyl)amino]methyl]anilino]-2-oxoethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[4-[[(4-ethoxybenzoyl)amino]methyl]anilino]-2-oxoethyl]carbamate
PubChem CID108917576
Molecular FormulaC23H29N3O5
Molecular Weight427.50 g/mol
Exact Mass427.21
IUPAC Nametert-butyl N-[2-[4-[[(4-ethoxybenzoyl)amino]methyl]anilino]-2-oxoethyl]carbamate
SMILESCCOc1ccc(C(=O)NCc2ccc(NC(=O)CNC(=O)OC(C)(C)C)cc2)cc1
InChIInChI=1S/C23H29N3O5/c1-5-30-19-12-8-17(9-13-19)21(28)24-14-16-6-10-18(11-7-16)26-20(27)15-25-22(29)31-23(2,3)4/h6-13H,5,14-15H2,1-4H3,(H,24,28)(H,25,29)(H,26,27)
InChIKeyPITAVFHMOYJJMC-UHFFFAOYSA-N
XLogP3.48
TPSA105.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.50
LogP ≤ 53.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-4-[[2-(4-ethoxyanilino)acetyl]amino]benzamide
CID 54810964
4-N-(4-ethoxyphenyl)-1-N-[(4-methylphenyl)methyl]benzene-1,4-dicarboxamide
CID 109046981
tert-butyl N-[2-[2-[(4-ethoxybenzoyl)amino]anilino]-2-oxoethyl]carbamate
CID 108917328
4-ethoxy-N-[[4-[[(4-ethoxybenzoyl)amino]methyl]phenyl]methyl]benzamide
CID 3528873
tert-butyl N-[2-(4-ethylanilino)-2-oxoethyl]carbamate
CID 60596094
4-ethoxy-N-[2-(4-fluoroanilino)-2-oxoethyl]benzamide
CID 9416291
1-N-benzyl-4-N-(4-ethoxyphenyl)benzene-1,4-dicarboxamide
CID 109046738
N-[2-(4-ethoxyanilino)-2-oxoethyl]-4-fluorobenzamide
CID 2967136
tert-butyl N-[2-oxo-2-[[4-[(4-phenylbenzoyl)amino]phenyl]methylamino]ethyl]carbamate
CID 108917509
tert-butyl N-[2-[4-[[[4-(4-methylphenyl)-4-oxobutanoyl]amino]methyl]anilino]-2-oxoethyl]carbamate
CID 108917580
methyl 4-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]benzoyl]amino]benzoate
CID 26688501
tert-butyl N-[2-[4-[(4-fluorobenzoyl)amino]anilino]-2-oxoethyl]carbamate
CID 108916896

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[4-[[(4-ethoxybenzoyl)amino]methyl]anilino]-2-oxoethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[4-[[(4-ethoxybenzoyl)amino]methyl]anilino]-2-oxoethyl]carbamate (CID 108917576) is tert-butyl N-[2-[4-[[(4-ethoxybenzoyl)amino]methyl]anilino]-2-oxoethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[4-[[(4-ethoxybenzoyl)amino]methyl]anilino]-2-oxoethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[4-[[(4-ethoxybenzoyl)amino]methyl]anilino]-2-oxoethyl]carbamate is CCOc1ccc(C(=O)NCc2ccc(NC(=O)CNC(=O)OC(C)(C)C)cc2)cc1.
What is the InChIKey of tert-butyl N-[2-[4-[[(4-ethoxybenzoyl)amino]methyl]anilino]-2-oxoethyl]carbamate?
The InChIKey is PITAVFHMOYJJMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O5/c1-5-30-19-12-8-17(9-13-19)21(28)24-14-16-6-10-18(11-7-16)26-20(27)15-25-22(29)31-23(2,3)4/h6-13H,5,14-15H2,1-4H3,(H,24,28)(H,25,29)(H,26,27).
What are the key properties of tert-butyl N-[2-[4-[[(4-ethoxybenzoyl)amino]methyl]anilino]-2-oxoethyl]carbamate?
tert-butyl N-[2-[4-[[(4-ethoxybenzoyl)amino]methyl]anilino]-2-oxoethyl]carbamate has a molecular weight of 427.50 g/mol, XLogP of 3.48, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[4-[[(4-ethoxybenzoyl)amino]methyl]anilino]-2-oxoethyl]carbamate is sourced from PubChem (CID 108917576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).