tert-butyl N-[4-[[3-(2-anilino-2-oxoethoxy)phenyl]carbamoyl]phenyl]carbamate

C26H27N3O5 — CID 55901961

IUPACtert-butyl N-[4-[[3-(2-anilino-2-oxoethoxy)phenyl]carbamoyl]phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(C(=O)Nc2cccc(OCC(=O)Nc3ccccc3)c2)cc1
InChIInChI=1S/C26H27N3O5/c1-26(2,3)34-25(32)29-20-14-12-18(13-15-20)24(31)28-21-10-7-11-22(16-21)33-17-23(30)27-19-8-5-4-6-9-19/h4-16H,17H2,1-3H3,(H,27,30)(H,28,31)(H,29,32)
InChIKeyMCFDSLJNRKHQTQ-UHFFFAOYSA-N
MW461.52 g/mol
LogP5.30
Rot. Bonds7

About tert-butyl N-[4-[[3-(2-anilino-2-oxoethoxy)phenyl]carbamoyl]phenyl]carbamate

tert-butyl N-[4-[[3-(2-anilino-2-oxoethoxy)phenyl]carbamoyl]phenyl]carbamate (PubChem CID 55901961) has the molecular formula C26H27N3O5 and a molecular weight of 461.52 g/mol. Its IUPAC name is tert-butyl N-[4-[[3-(2-anilino-2-oxoethoxy)phenyl]carbamoyl]phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[[3-(2-anilino-2-oxoethoxy)phenyl]carbamoyl]phenyl]carbamate
PubChem CID55901961
Molecular FormulaC26H27N3O5
Molecular Weight461.52 g/mol
Exact Mass461.20
IUPAC Nametert-butyl N-[4-[[3-(2-anilino-2-oxoethoxy)phenyl]carbamoyl]phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(C(=O)Nc2cccc(OCC(=O)Nc3ccccc3)c2)cc1
InChIInChI=1S/C26H27N3O5/c1-26(2,3)34-25(32)29-20-14-12-18(13-15-20)24(31)28-21-10-7-11-22(16-21)33-17-23(30)27-19-8-5-4-6-9-19/h4-16H,17H2,1-3H3,(H,27,30)(H,28,31)(H,29,32)
InChIKeyMCFDSLJNRKHQTQ-UHFFFAOYSA-N
XLogP5.30
TPSA105.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.52
LogP ≤ 55.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[4-[[3-(2-anilino-2-oxoethoxy)phenyl]carbamoyl]phenyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-[2-oxo-2-(4-phenoxyanilino)ethoxy]phenyl]benzamide
CID 18870214
4-[[2-[3-(2,2-dimethylpropanoylamino)phenoxy]acetyl]amino]benzoic acid
CID 18870384
N-[3-(2-anilino-2-oxoethoxy)phenyl]-4-(trifluoromethylsulfonyl)benzamide
CID 55902221
benzyl N-[3-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoyl]amino]phenyl]carbamate
CID 138515500
2-[3-[[4-(2,2-dimethylpropanoylamino)benzoyl]amino]phenoxy]acetic acid
CID 17297148
4-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-phenylbenzamide
CID 17359274
4-(2-anilino-2-oxoethoxy)-N-phenylbenzamide
CID 10545541
tert-butyl N-[4-[(3-iodophenyl)carbamoyl]phenyl]carbamate
CID 26245474
N-[3-(2-anilino-2-oxoethoxy)phenyl]-4-[(carbamoylamino)methyl]benzamide
CID 55993506
tert-butyl N-(3-ethoxyphenyl)carbamate
CID 17098158
[3-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamoyl]phenyl]carbamic acid
CID 18416506
N-[3-[2-(2-methylanilino)-2-oxoethoxy]phenyl]benzamide
CID 18870161

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[[3-(2-anilino-2-oxoethoxy)phenyl]carbamoyl]phenyl]carbamate?
The IUPAC name of tert-butyl N-[4-[[3-(2-anilino-2-oxoethoxy)phenyl]carbamoyl]phenyl]carbamate (CID 55901961) is tert-butyl N-[4-[[3-(2-anilino-2-oxoethoxy)phenyl]carbamoyl]phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[[3-(2-anilino-2-oxoethoxy)phenyl]carbamoyl]phenyl]carbamate?
The canonical SMILES for tert-butyl N-[4-[[3-(2-anilino-2-oxoethoxy)phenyl]carbamoyl]phenyl]carbamate is CC(C)(C)OC(=O)Nc1ccc(C(=O)Nc2cccc(OCC(=O)Nc3ccccc3)c2)cc1.
What is the InChIKey of tert-butyl N-[4-[[3-(2-anilino-2-oxoethoxy)phenyl]carbamoyl]phenyl]carbamate?
The InChIKey is MCFDSLJNRKHQTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O5/c1-26(2,3)34-25(32)29-20-14-12-18(13-15-20)24(31)28-21-10-7-11-22(16-21)33-17-23(30)27-19-8-5-4-6-9-19/h4-16H,17H2,1-3H3,(H,27,30)(H,28,31)(H,29,32).
What are the key properties of tert-butyl N-[4-[[3-(2-anilino-2-oxoethoxy)phenyl]carbamoyl]phenyl]carbamate?
tert-butyl N-[4-[[3-(2-anilino-2-oxoethoxy)phenyl]carbamoyl]phenyl]carbamate has a molecular weight of 461.52 g/mol, XLogP of 5.30, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[[3-(2-anilino-2-oxoethoxy)phenyl]carbamoyl]phenyl]carbamate is sourced from PubChem (CID 55901961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).