tert-butyl N-[2-(4-aminophenoxy)ethyl]-N-(4-aminophenyl)carbamate

C19H25N3O3 — CID 142449240

IUPACtert-butyl N-[2-(4-aminophenoxy)ethyl]-N-(4-aminophenyl)carbamate
SMILESCC(C)(C)OC(=O)N(CCOc1ccc(N)cc1)c1ccc(N)cc1
InChIInChI=1S/C19H25N3O3/c1-19(2,3)25-18(23)22(16-8-4-14(20)5-9-16)12-13-24-17-10-6-15(21)7-11-17/h4-11H,12-13,20-21H2,1-3H3
InChIKeyYIAOFHBCQSDFOY-UHFFFAOYSA-N
MW343.43 g/mol
LogP3.67
Rot. Bonds5

About tert-butyl N-[2-(4-aminophenoxy)ethyl]-N-(4-aminophenyl)carbamate

tert-butyl N-[2-(4-aminophenoxy)ethyl]-N-(4-aminophenyl)carbamate (PubChem CID 142449240) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is tert-butyl N-[2-(4-aminophenoxy)ethyl]-N-(4-aminophenyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(4-aminophenoxy)ethyl]-N-(4-aminophenyl)carbamate
PubChem CID142449240
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Nametert-butyl N-[2-(4-aminophenoxy)ethyl]-N-(4-aminophenyl)carbamate
SMILESCC(C)(C)OC(=O)N(CCOc1ccc(N)cc1)c1ccc(N)cc1
InChIInChI=1S/C19H25N3O3/c1-19(2,3)25-18(23)22(16-8-4-14(20)5-9-16)12-13-24-17-10-6-15(21)7-11-17/h4-11H,12-13,20-21H2,1-3H3
InChIKeyYIAOFHBCQSDFOY-UHFFFAOYSA-N
XLogP3.67
TPSA90.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze tert-butyl N-[2-(4-aminophenoxy)ethyl]-N-(4-aminophenyl)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

methyl 3-[N-[(2-methylpropan-2-yl)oxycarbonyl]-4-(2-phenylethoxy)anilino]propanoate
CID 142651252
(Z)-but-2-ene;tert-butyl N-[2-(4-aminophenoxy)ethyl]-N-ethylcarbamate;ethane;propane;propan-2-ol
CID 142830492
tert-butyl N-methyl-N-[2-(4-propan-2-ylphenoxy)ethyl]carbamate
CID 58790256
2-(4-aminophenoxy)ethyl-methylcarbamic acid
CID 67422693
tert-butyl N-[4-(aminomethyl)phenyl]-N-propylcarbamate
CID 43275716
ethyl (E)-3-[4-[2-methoxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]phenyl]prop-2-enoate
CID 22113397
tert-butyl N-[4-[4-[4-amino-N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]phenyl]phenyl]-N-(4-aminophenyl)carbamate
CID 142297581
tert-butyl N-[2-[4-(4-aminophenyl)phenoxy]ethyl]carbamate
CID 139950416
[4-[2-[4-amino-N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]ethyl]-1,3-thiazol-2-yl]carbamic acid
CID 150807260
tert-butyl N-[2-[4-(chloromethyl)phenoxy]ethyl]-N-methylcarbamate
CID 58870313
[4-[(2-methylpropan-2-yl)oxycarbonyl-propylamino]phenyl]boronic acid
CID 74889329
tert-butyl N-[2-(4-amino-N-methylsulfanylanilino)ethyl]-N-methylcarbamate
CID 155431664

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(4-aminophenoxy)ethyl]-N-(4-aminophenyl)carbamate?
The IUPAC name of tert-butyl N-[2-(4-aminophenoxy)ethyl]-N-(4-aminophenyl)carbamate (CID 142449240) is tert-butyl N-[2-(4-aminophenoxy)ethyl]-N-(4-aminophenyl)carbamate.
What is the SMILES notation for tert-butyl N-[2-(4-aminophenoxy)ethyl]-N-(4-aminophenyl)carbamate?
The canonical SMILES for tert-butyl N-[2-(4-aminophenoxy)ethyl]-N-(4-aminophenyl)carbamate is CC(C)(C)OC(=O)N(CCOc1ccc(N)cc1)c1ccc(N)cc1.
What is the InChIKey of tert-butyl N-[2-(4-aminophenoxy)ethyl]-N-(4-aminophenyl)carbamate?
The InChIKey is YIAOFHBCQSDFOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-19(2,3)25-18(23)22(16-8-4-14(20)5-9-16)12-13-24-17-10-6-15(21)7-11-17/h4-11H,12-13,20-21H2,1-3H3.
What are the key properties of tert-butyl N-[2-(4-aminophenoxy)ethyl]-N-(4-aminophenyl)carbamate?
tert-butyl N-[2-(4-aminophenoxy)ethyl]-N-(4-aminophenyl)carbamate has a molecular weight of 343.43 g/mol, XLogP of 3.67, 5 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-aminophenoxy)ethyl]-N-(4-aminophenyl)carbamate is sourced from PubChem (CID 142449240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).