benzyl N-[3-amino-5-(3-aminophenyl)phenyl]carbamate

C20H19N3O2 — CID 68788391

IUPACbenzyl N-[3-amino-5-(3-aminophenyl)phenyl]carbamate
SMILESNc1cccc(-c2cc(N)cc(NC(=O)OCc3ccccc3)c2)c1
InChIInChI=1S/C20H19N3O2/c21-17-8-4-7-15(9-17)16-10-18(22)12-19(11-16)23-20(24)25-13-14-5-2-1-3-6-14/h1-12H,13,21-22H2,(H,23,24)
InChIKeyOLMMCNFCDDXQTJ-UHFFFAOYSA-N
MW333.39 g/mol
LogP4.27
Rot. Bonds4

About benzyl N-[3-amino-5-(3-aminophenyl)phenyl]carbamate

benzyl N-[3-amino-5-(3-aminophenyl)phenyl]carbamate (PubChem CID 68788391) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is benzyl N-[3-amino-5-(3-aminophenyl)phenyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[3-amino-5-(3-aminophenyl)phenyl]carbamate
PubChem CID68788391
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Namebenzyl N-[3-amino-5-(3-aminophenyl)phenyl]carbamate
SMILESNc1cccc(-c2cc(N)cc(NC(=O)OCc3ccccc3)c2)c1
InChIInChI=1S/C20H19N3O2/c21-17-8-4-7-15(9-17)16-10-18(22)12-19(11-16)23-20(24)25-13-14-5-2-1-3-6-14/h1-12H,13,21-22H2,(H,23,24)
InChIKeyOLMMCNFCDDXQTJ-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-[3-(4-aminophenyl)phenyl]carbamate;hydrochloride
CID 76853740
benzyl N-[2-[2-(3-aminophenyl)phenyl]ethyl]carbamate
CID 170456529
benzyl N-(3,5-dichloro-4-hydroxyphenyl)carbamate
CID 22048547
(3-aminophenyl)methyl N-[3-[[tert-butyl(diphenyl)silyl]oxymethyl]phenyl]carbamate
CID 10791831
benzyl N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]carbamate
CID 110643709
[3-[2,6-dimethyl-4-(phenylmethoxycarbonylamino)phenyl]phenyl] acetate
CID 174743696
3-iodo-5-(phenylmethoxycarbonylamino)benzoic acid
CID 130535415
benzyl N-[3-(trifluoromethyl)phenyl]carbamate
CID 5201332
benzyl N-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamate
CID 173301676
benzyl N-[3-(9H-fluoren-9-ylmethoxycarbonylamino)phenyl]carbamate
CID 141445074
benzyl N-[4-(3-fluoro-5-hydroxyphenyl)phenyl]carbamate
CID 53219805
benzyl N-[4-(3-chloro-5-hydroxyphenyl)phenyl]carbamate
CID 53221594

Frequently Asked Questions

What is the IUPAC name of benzyl N-[3-amino-5-(3-aminophenyl)phenyl]carbamate?
The IUPAC name of benzyl N-[3-amino-5-(3-aminophenyl)phenyl]carbamate (CID 68788391) is benzyl N-[3-amino-5-(3-aminophenyl)phenyl]carbamate.
What is the SMILES notation for benzyl N-[3-amino-5-(3-aminophenyl)phenyl]carbamate?
The canonical SMILES for benzyl N-[3-amino-5-(3-aminophenyl)phenyl]carbamate is Nc1cccc(-c2cc(N)cc(NC(=O)OCc3ccccc3)c2)c1.
What is the InChIKey of benzyl N-[3-amino-5-(3-aminophenyl)phenyl]carbamate?
The InChIKey is OLMMCNFCDDXQTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c21-17-8-4-7-15(9-17)16-10-18(22)12-19(11-16)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-[3-amino-5-(3-aminophenyl)phenyl]carbamate?
benzyl N-[3-amino-5-(3-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-[3-amino-5-(3-aminophenyl)phenyl]carbamate is sourced from PubChem (CID 68788391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).