tert-butyl N-[2-[4-(4-methoxy-3-propan-2-ylphenoxy)-3,5-dimethylanilino]-2-oxoethyl]carbamate

C25H34N2O5 — CID 142030848

IUPACtert-butyl N-[2-[4-(4-methoxy-3-propan-2-ylphenoxy)-3,5-dimethylanilino]-2-oxoethyl]carbamate
SMILESCOc1ccc(Oc2c(C)cc(NC(=O)CNC(=O)OC(C)(C)C)cc2C)cc1C(C)C
InChIInChI=1S/C25H34N2O5/c1-15(2)20-13-19(9-10-21(20)30-8)31-23-16(3)11-18(12-17(23)4)27-22(28)14-26-24(29)32-25(5,6)7/h9-13,15H,14H2,1-8H3,(H,26,29)(H,27,28)
InChIKeyCTRBXZKSSWJANW-UHFFFAOYSA-N
MW442.56 g/mol
LogP5.69
Rot. Bonds7

About tert-butyl N-[2-[4-(4-methoxy-3-propan-2-ylphenoxy)-3,5-dimethylanilino]-2-oxoethyl]carbamate

tert-butyl N-[2-[4-(4-methoxy-3-propan-2-ylphenoxy)-3,5-dimethylanilino]-2-oxoethyl]carbamate (PubChem CID 142030848) has the molecular formula C25H34N2O5 and a molecular weight of 442.56 g/mol. Its IUPAC name is tert-butyl N-[2-[4-(4-methoxy-3-propan-2-ylphenoxy)-3,5-dimethylanilino]-2-oxoethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[4-(4-methoxy-3-propan-2-ylphenoxy)-3,5-dimethylanilino]-2-oxoethyl]carbamate
PubChem CID142030848
Molecular FormulaC25H34N2O5
Molecular Weight442.56 g/mol
Exact Mass442.25
IUPAC Nametert-butyl N-[2-[4-(4-methoxy-3-propan-2-ylphenoxy)-3,5-dimethylanilino]-2-oxoethyl]carbamate
SMILESCOc1ccc(Oc2c(C)cc(NC(=O)CNC(=O)OC(C)(C)C)cc2C)cc1C(C)C
InChIInChI=1S/C25H34N2O5/c1-15(2)20-13-19(9-10-21(20)30-8)31-23-16(3)11-18(12-17(23)4)27-22(28)14-26-24(29)32-25(5,6)7/h9-13,15H,14H2,1-8H3,(H,26,29)(H,27,28)
InChIKeyCTRBXZKSSWJANW-UHFFFAOYSA-N
XLogP5.69
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.56
LogP ≤ 55.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[2-[4-(4-methoxy-3-propan-2-ylphenoxy)-3,5-dimethylanilino]-2-oxoethyl]carbamate with MolForge

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Related Compounds

2-amino-N-[4-(4-methoxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]acetamide
CID 142030863
2-acetamido-N-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]acetamide
CID 142200859
4-(4-methoxy-3-propan-2-ylphenoxy)-N,3,5-trimethylaniline
CID 11779514
tert-butyl N-[2-(2,4-dimethoxyanilino)-2-oxoethyl]carbamate
CID 75526718
tert-butyl N-[2-(4-chloro-3-methylanilino)-2-oxoethyl]carbamate
CID 134311773
N-[4-(3-tert-butyl-4-methoxyphenoxy)-3,5-dimethylphenyl]butanamide;methane
CID 142030854
tert-butyl N-[2-oxo-2-[4-[(3,4,5-trimethoxybenzoyl)amino]anilino]ethyl]carbamate
CID 108916894
(2-cyano-2-methylpropyl) N-[3,5-dichloro-4-(4-methoxy-3-propan-2-ylphenoxy)phenyl]carbamate
CID 155781774
tert-butyl N-[2-(2-chloro-4-methoxyanilino)-2-oxoethyl]carbamate
CID 86860346
1-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]-3-(4-methoxyphenyl)urea
CID 142200724
tert-butyl N-[2-[3-[[(E)-4-methylpent-2-enoyl]amino]anilino]-2-oxoethyl]carbamate
CID 108917267
tert-butyl N-[1-(2,5-dimethoxyphenyl)ethyl]carbamate
CID 63790271

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[4-(4-methoxy-3-propan-2-ylphenoxy)-3,5-dimethylanilino]-2-oxoethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[4-(4-methoxy-3-propan-2-ylphenoxy)-3,5-dimethylanilino]-2-oxoethyl]carbamate (CID 142030848) is tert-butyl N-[2-[4-(4-methoxy-3-propan-2-ylphenoxy)-3,5-dimethylanilino]-2-oxoethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[4-(4-methoxy-3-propan-2-ylphenoxy)-3,5-dimethylanilino]-2-oxoethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[4-(4-methoxy-3-propan-2-ylphenoxy)-3,5-dimethylanilino]-2-oxoethyl]carbamate is COc1ccc(Oc2c(C)cc(NC(=O)CNC(=O)OC(C)(C)C)cc2C)cc1C(C)C.
What is the InChIKey of tert-butyl N-[2-[4-(4-methoxy-3-propan-2-ylphenoxy)-3,5-dimethylanilino]-2-oxoethyl]carbamate?
The InChIKey is CTRBXZKSSWJANW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O5/c1-15(2)20-13-19(9-10-21(20)30-8)31-23-16(3)11-18(12-17(23)4)27-22(28)14-26-24(29)32-25(5,6)7/h9-13,15H,14H2,1-8H3,(H,26,29)(H,27,28).
What are the key properties of tert-butyl N-[2-[4-(4-methoxy-3-propan-2-ylphenoxy)-3,5-dimethylanilino]-2-oxoethyl]carbamate?
tert-butyl N-[2-[4-(4-methoxy-3-propan-2-ylphenoxy)-3,5-dimethylanilino]-2-oxoethyl]carbamate has a molecular weight of 442.56 g/mol, XLogP of 5.69, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[4-(4-methoxy-3-propan-2-ylphenoxy)-3,5-dimethylanilino]-2-oxoethyl]carbamate is sourced from PubChem (CID 142030848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).