tert-butyl N-[2-oxo-2-[4-[(3,4,5-trimethoxybenzoyl)amino]anilino]ethyl]carbamate

C23H29N3O7 — CID 108916894

IUPACtert-butyl N-[2-oxo-2-[4-[(3,4,5-trimethoxybenzoyl)amino]anilino]ethyl]carbamate
SMILESCOc1cc(C(=O)Nc2ccc(NC(=O)CNC(=O)OC(C)(C)C)cc2)cc(OC)c1OC
InChIInChI=1S/C23H29N3O7/c1-23(2,3)33-22(29)24-13-19(27)25-15-7-9-16(10-8-15)26-21(28)14-11-17(30-4)20(32-6)18(12-14)31-5/h7-12H,13H2,1-6H3,(H,24,29)(H,25,27)(H,26,28)
InChIKeyVXGYJKFEKLBZMA-UHFFFAOYSA-N
MW459.50 g/mol
LogP3.43
Rot. Bonds8

About tert-butyl N-[2-oxo-2-[4-[(3,4,5-trimethoxybenzoyl)amino]anilino]ethyl]carbamate

tert-butyl N-[2-oxo-2-[4-[(3,4,5-trimethoxybenzoyl)amino]anilino]ethyl]carbamate (PubChem CID 108916894) has the molecular formula C23H29N3O7 and a molecular weight of 459.50 g/mol. Its IUPAC name is tert-butyl N-[2-oxo-2-[4-[(3,4,5-trimethoxybenzoyl)amino]anilino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-oxo-2-[4-[(3,4,5-trimethoxybenzoyl)amino]anilino]ethyl]carbamate
PubChem CID108916894
Molecular FormulaC23H29N3O7
Molecular Weight459.50 g/mol
Exact Mass459.20
IUPAC Nametert-butyl N-[2-oxo-2-[4-[(3,4,5-trimethoxybenzoyl)amino]anilino]ethyl]carbamate
SMILESCOc1cc(C(=O)Nc2ccc(NC(=O)CNC(=O)OC(C)(C)C)cc2)cc(OC)c1OC
InChIInChI=1S/C23H29N3O7/c1-23(2,3)33-22(29)24-13-19(27)25-15-7-9-16(10-8-15)26-21(28)14-11-17(30-4)20(32-6)18(12-14)31-5/h7-12H,13H2,1-6H3,(H,24,29)(H,25,27)(H,26,28)
InChIKeyVXGYJKFEKLBZMA-UHFFFAOYSA-N
XLogP3.43
TPSA124.22 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.50
LogP ≤ 53.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

tert-butyl N-[2-oxo-2-[2-[(3,4,5-trimethoxybenzoyl)amino]ethylamino]ethyl]carbamate
CID 108916210
tert-butyl N-[2-[[4-[(3,4-dimethoxybenzoyl)amino]phenyl]methylamino]-2-oxoethyl]carbamate
CID 108917493
tert-butyl N-[2-[4-[(4-fluorobenzoyl)amino]anilino]-2-oxoethyl]carbamate
CID 108916896
tert-butyl N-[2-oxo-2-[3-[(3,4,5-triethoxybenzoyl)amino]anilino]ethyl]carbamate
CID 108917111
3,4,5-trimethoxy-N-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]benzamide
CID 26682580
tert-butyl N-[2-[4-[(2,3-dimethylquinoxaline-6-carbonyl)amino]anilino]-2-oxoethyl]carbamate
CID 108916963
3,4,5-trimethoxy-N-[4-(3-methylbutanoylamino)phenyl]benzamide
CID 17193980
methyl 3-methoxy-4-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]benzoate
CID 138683323
tert-butyl N-[2-(4-ethylanilino)-2-oxoethyl]carbamate
CID 60596094
N-(4-chlorophenyl)-3,4,5-trimethoxybenzamide
CID 692739
3,4,5-trimethoxy-N-[4-(2-methylpropylamino)phenyl]benzamide
CID 112980351
tert-butyl N-[2-[[4-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]methylamino]-2-oxoethyl]carbamate
CID 108917701

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-oxo-2-[4-[(3,4,5-trimethoxybenzoyl)amino]anilino]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-oxo-2-[4-[(3,4,5-trimethoxybenzoyl)amino]anilino]ethyl]carbamate (CID 108916894) is tert-butyl N-[2-oxo-2-[4-[(3,4,5-trimethoxybenzoyl)amino]anilino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-oxo-2-[4-[(3,4,5-trimethoxybenzoyl)amino]anilino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-oxo-2-[4-[(3,4,5-trimethoxybenzoyl)amino]anilino]ethyl]carbamate is COc1cc(C(=O)Nc2ccc(NC(=O)CNC(=O)OC(C)(C)C)cc2)cc(OC)c1OC.
What is the InChIKey of tert-butyl N-[2-oxo-2-[4-[(3,4,5-trimethoxybenzoyl)amino]anilino]ethyl]carbamate?
The InChIKey is VXGYJKFEKLBZMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O7/c1-23(2,3)33-22(29)24-13-19(27)25-15-7-9-16(10-8-15)26-21(28)14-11-17(30-4)20(32-6)18(12-14)31-5/h7-12H,13H2,1-6H3,(H,24,29)(H,25,27)(H,26,28).
What are the key properties of tert-butyl N-[2-oxo-2-[4-[(3,4,5-trimethoxybenzoyl)amino]anilino]ethyl]carbamate?
tert-butyl N-[2-oxo-2-[4-[(3,4,5-trimethoxybenzoyl)amino]anilino]ethyl]carbamate has a molecular weight of 459.50 g/mol, XLogP of 3.43, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-oxo-2-[4-[(3,4,5-trimethoxybenzoyl)amino]anilino]ethyl]carbamate is sourced from PubChem (CID 108916894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).