tert-butyl N-[2-[3-[(4-methoxyphenyl)carbamoylamino]phenyl]ethyl]carbamate

C21H27N3O4 — CID 91250750

IUPACtert-butyl N-[2-[3-[(4-methoxyphenyl)carbamoylamino]phenyl]ethyl]carbamate
SMILESCOc1ccc(NC(=O)Nc2cccc(CCNC(=O)OC(C)(C)C)c2)cc1
InChIInChI=1S/C21H27N3O4/c1-21(2,3)28-20(26)22-13-12-15-6-5-7-17(14-15)24-19(25)23-16-8-10-18(27-4)11-9-16/h5-11,14H,12-13H2,1-4H3,(H,22,26)(H2,23,24,25)
InChIKeyCLOULKSXRBQFLC-UHFFFAOYSA-N
MW385.46 g/mol
LogP4.41
Rot. Bonds6

About tert-butyl N-[2-[3-[(4-methoxyphenyl)carbamoylamino]phenyl]ethyl]carbamate

tert-butyl N-[2-[3-[(4-methoxyphenyl)carbamoylamino]phenyl]ethyl]carbamate (PubChem CID 91250750) has the molecular formula C21H27N3O4 and a molecular weight of 385.46 g/mol. Its IUPAC name is tert-butyl N-[2-[3-[(4-methoxyphenyl)carbamoylamino]phenyl]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[3-[(4-methoxyphenyl)carbamoylamino]phenyl]ethyl]carbamate
PubChem CID91250750
Molecular FormulaC21H27N3O4
Molecular Weight385.46 g/mol
Exact Mass385.20
IUPAC Nametert-butyl N-[2-[3-[(4-methoxyphenyl)carbamoylamino]phenyl]ethyl]carbamate
SMILESCOc1ccc(NC(=O)Nc2cccc(CCNC(=O)OC(C)(C)C)c2)cc1
InChIInChI=1S/C21H27N3O4/c1-21(2,3)28-20(26)22-13-12-15-6-5-7-17(14-15)24-19(25)23-16-8-10-18(27-4)11-9-16/h5-11,14H,12-13H2,1-4H3,(H,22,26)(H2,23,24,25)
InChIKeyCLOULKSXRBQFLC-UHFFFAOYSA-N
XLogP4.41
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 54.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[2-[3-[(4-methoxyphenyl)carbamoylamino]phenyl]ethyl]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

tert-butyl N-[2-[3-[(2-methoxyphenyl)methylcarbamoylamino]phenyl]ethyl]carbamate
CID 91280373
tert-butyl N-[2-[3-[(4-tert-butylphenyl)methylcarbamoylamino]phenyl]ethyl]carbamate
CID 86650505
tert-butyl N-[3-[2-(3-methoxyphenyl)ethylamino]-3-oxopropyl]carbamate
CID 86673951
tert-butyl N-[2-(4-methoxyanilino)ethyl]carbamate
CID 112689424
tert-butyl N-[2-(3-carbamoylphenyl)ethyl]carbamate
CID 137389832
1-(3-methoxyphenyl)-3-(4-methoxyphenyl)urea
CID 872322
1-(3-chlorophenyl)-3-(4-methoxyphenyl)urea
CID 727874
tert-butyl N-[3-(3,3-dimethylbutyl)phenyl]carbamate
CID 139689119
1-[2-(4-methoxyphenyl)ethyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 970411
tert-butyl N-[3-[3-[[[2-(3-methoxyphenyl)acetyl]amino]methyl]anilino]-3-oxopropyl]carbamate
CID 108921420
tert-butyl N-[3-[(2-hydroxy-4-methoxyphenyl)methyl]phenyl]carbamate
CID 140869030
[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]carbamic acid
CID 143553778

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[3-[(4-methoxyphenyl)carbamoylamino]phenyl]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[3-[(4-methoxyphenyl)carbamoylamino]phenyl]ethyl]carbamate (CID 91250750) is tert-butyl N-[2-[3-[(4-methoxyphenyl)carbamoylamino]phenyl]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[3-[(4-methoxyphenyl)carbamoylamino]phenyl]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[3-[(4-methoxyphenyl)carbamoylamino]phenyl]ethyl]carbamate is COc1ccc(NC(=O)Nc2cccc(CCNC(=O)OC(C)(C)C)c2)cc1.
What is the InChIKey of tert-butyl N-[2-[3-[(4-methoxyphenyl)carbamoylamino]phenyl]ethyl]carbamate?
The InChIKey is CLOULKSXRBQFLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O4/c1-21(2,3)28-20(26)22-13-12-15-6-5-7-17(14-15)24-19(25)23-16-8-10-18(27-4)11-9-16/h5-11,14H,12-13H2,1-4H3,(H,22,26)(H2,23,24,25).
What are the key properties of tert-butyl N-[2-[3-[(4-methoxyphenyl)carbamoylamino]phenyl]ethyl]carbamate?
tert-butyl N-[2-[3-[(4-methoxyphenyl)carbamoylamino]phenyl]ethyl]carbamate has a molecular weight of 385.46 g/mol, XLogP of 4.41, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[3-[(4-methoxyphenyl)carbamoylamino]phenyl]ethyl]carbamate is sourced from PubChem (CID 91250750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).