benzyl N-[2-amino-3-(4-aminophenyl)phenyl]carbamate

C20H19N3O2 — CID 68788358

IUPACbenzyl N-[2-amino-3-(4-aminophenyl)phenyl]carbamate
SMILESNc1ccc(-c2cccc(NC(=O)OCc3ccccc3)c2N)cc1
InChIInChI=1S/C20H19N3O2/c21-16-11-9-15(10-12-16)17-7-4-8-18(19(17)22)23-20(24)25-13-14-5-2-1-3-6-14/h1-12H,13,21-22H2,(H,23,24)
InChIKeyYNSKUOWONDJXIZ-UHFFFAOYSA-N
MW333.39 g/mol
LogP4.27
Rot. Bonds4

About benzyl N-[2-amino-3-(4-aminophenyl)phenyl]carbamate

benzyl N-[2-amino-3-(4-aminophenyl)phenyl]carbamate (PubChem CID 68788358) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is benzyl N-[2-amino-3-(4-aminophenyl)phenyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[2-amino-3-(4-aminophenyl)phenyl]carbamate
PubChem CID68788358
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Namebenzyl N-[2-amino-3-(4-aminophenyl)phenyl]carbamate
SMILESNc1ccc(-c2cccc(NC(=O)OCc3ccccc3)c2N)cc1
InChIInChI=1S/C20H19N3O2/c21-16-11-9-15(10-12-16)17-7-4-8-18(19(17)22)23-20(24)25-13-14-5-2-1-3-6-14/h1-12H,13,21-22H2,(H,23,24)
InChIKeyYNSKUOWONDJXIZ-UHFFFAOYSA-N
XLogP4.27
TPSA90.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 54.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

benzyl N-[2-(2-aminophenyl)phenyl]carbamate
CID 68787776
benzyl N-[3-(4-aminophenyl)phenyl]carbamate;hydrochloride
CID 76853740
benzyl N-(2-iodophenyl)carbamate
CID 10959121
benzyl N-(2-bromophenyl)carbamate
CID 4935706
benzyl N-(2-fluoro-3-hydroxyphenyl)carbamate
CID 125116618
methyl 2-[(4-phenylphenyl)methoxycarbonylamino]benzoate
CID 69296077
benzyl N-[2-(1-aminocyclopropyl)phenyl]carbamate
CID 141316548
benzyl N-(5,6,7,8-tetrahydronaphthalen-1-yl)carbamate
CID 91450815
benzyl N-(2-methyl-3-pyridinyl)carbamate
CID 10514300
benzyl N-(6-methyl-2-oxo-5-phenyl-1H-pyridin-3-yl)carbamate
CID 22405456
2-[2-hydroxy-6-(phenylmethoxycarbonylamino)phenyl]propanoic acid
CID 139948436
3-[2-hydroxy-3-(phenylmethoxycarbonylamino)phenyl]propanoic acid
CID 54120837

Frequently Asked Questions

What is the IUPAC name of benzyl N-[2-amino-3-(4-aminophenyl)phenyl]carbamate?
The IUPAC name of benzyl N-[2-amino-3-(4-aminophenyl)phenyl]carbamate (CID 68788358) is benzyl N-[2-amino-3-(4-aminophenyl)phenyl]carbamate.
What is the SMILES notation for benzyl N-[2-amino-3-(4-aminophenyl)phenyl]carbamate?
The canonical SMILES for benzyl N-[2-amino-3-(4-aminophenyl)phenyl]carbamate is Nc1ccc(-c2cccc(NC(=O)OCc3ccccc3)c2N)cc1.
What is the InChIKey of benzyl N-[2-amino-3-(4-aminophenyl)phenyl]carbamate?
The InChIKey is YNSKUOWONDJXIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c21-16-11-9-15(10-12-16)17-7-4-8-18(19(17)22)23-20(24)25-13-14-5-2-1-3-6-14/h1-12H,13,21-22H2,(H,23,24).
What are the key properties of benzyl N-[2-amino-3-(4-aminophenyl)phenyl]carbamate?
benzyl N-[2-amino-3-(4-aminophenyl)phenyl]carbamate has a molecular weight of 333.39 g/mol, XLogP of 4.27, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[2-amino-3-(4-aminophenyl)phenyl]carbamate is sourced from PubChem (CID 68788358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).