ethyl N-[2-amino-5-(3-aminophenoxy)phenyl]carbamate

C15H17N3O3 — CID 154174039

IUPACethyl N-[2-amino-5-(3-aminophenoxy)phenyl]carbamate
SMILESCCOC(=O)Nc1cc(Oc2cccc(N)c2)ccc1N
InChIInChI=1S/C15H17N3O3/c1-2-20-15(19)18-14-9-12(6-7-13(14)17)21-11-5-3-4-10(16)8-11/h3-9H,2,16-17H2,1H3,(H,18,19)
InChIKeyZZGVTMCTJSXZTG-UHFFFAOYSA-N
MW287.32 g/mol
LogP3.21
Rot. Bonds4

About ethyl N-[2-amino-5-(3-aminophenoxy)phenyl]carbamate

ethyl N-[2-amino-5-(3-aminophenoxy)phenyl]carbamate (PubChem CID 154174039) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is ethyl N-[2-amino-5-(3-aminophenoxy)phenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-amino-5-(3-aminophenoxy)phenyl]carbamate
PubChem CID154174039
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Nameethyl N-[2-amino-5-(3-aminophenoxy)phenyl]carbamate
SMILESCCOC(=O)Nc1cc(Oc2cccc(N)c2)ccc1N
InChIInChI=1S/C15H17N3O3/c1-2-20-15(19)18-14-9-12(6-7-13(14)17)21-11-5-3-4-10(16)8-11/h3-9H,2,16-17H2,1H3,(H,18,19)
InChIKeyZZGVTMCTJSXZTG-UHFFFAOYSA-N
XLogP3.21
TPSA99.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 53.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

ethyl N-[2-amino-4-(3-aminophenoxy)-1,2-dihydropyridin-3-yl]carbamate
CID 143569291
ethyl N-(2,4-diamino-5-methylphenyl)carbamate
CID 154351383
bis(4-(3-aminophenoxy)phenol);propane
CID 160970916
4-(3-aminophenoxy)phenol;butane
CID 157302455
3-[3-[4-[4-[4-[4-[3-(3-aminophenoxy)phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]phenoxy]aniline
CID 22338635
ethyl N-[3-(ethoxycarbonylamino)phenyl]carbamate
CID 897252
4-(3-methylphenoxy)benzene-1,2-diamine
CID 10488820
4-(3-aminophenoxy)-N-[4-(3-aminophenoxy)phenyl]benzamide
CID 141323890
3-(4-chloro-3-ethylphenoxy)aniline
CID 11021230
ethyl N-[N-[4-[3-[4-[(N-ethoxycarbonyl-N'-methylcarbamimidoyl)amino]phenoxy]phenoxy]phenyl]-N'-methylcarbamimidoyl]carbamate
CID 56933620
3-[4-(4-aminophenoxy)phenoxy]aniline
CID 22184043
3-[3,5-bis(3-aminophenoxy)phenoxy]aniline
CID 19698881

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-amino-5-(3-aminophenoxy)phenyl]carbamate?
The IUPAC name of ethyl N-[2-amino-5-(3-aminophenoxy)phenyl]carbamate (CID 154174039) is ethyl N-[2-amino-5-(3-aminophenoxy)phenyl]carbamate.
What is the SMILES notation for ethyl N-[2-amino-5-(3-aminophenoxy)phenyl]carbamate?
The canonical SMILES for ethyl N-[2-amino-5-(3-aminophenoxy)phenyl]carbamate is CCOC(=O)Nc1cc(Oc2cccc(N)c2)ccc1N.
What is the InChIKey of ethyl N-[2-amino-5-(3-aminophenoxy)phenyl]carbamate?
The InChIKey is ZZGVTMCTJSXZTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-2-20-15(19)18-14-9-12(6-7-13(14)17)21-11-5-3-4-10(16)8-11/h3-9H,2,16-17H2,1H3,(H,18,19).
What are the key properties of ethyl N-[2-amino-5-(3-aminophenoxy)phenyl]carbamate?
ethyl N-[2-amino-5-(3-aminophenoxy)phenyl]carbamate has a molecular weight of 287.32 g/mol, XLogP of 3.21, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-amino-5-(3-aminophenoxy)phenyl]carbamate is sourced from PubChem (CID 154174039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).