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

C20H19N3O3 — CID 68788093

IUPAC(4-methoxyphenyl) N-[4-amino-2-(2-aminophenyl)phenyl]carbamate
SMILESCOc1ccc(OC(=O)Nc2ccc(N)cc2-c2ccccc2N)cc1
InChIInChI=1S/C20H19N3O3/c1-25-14-7-9-15(10-8-14)26-20(24)23-19-11-6-13(21)12-17(19)16-4-2-3-5-18(16)22/h2-12H,21-22H2,1H3,(H,23,24)
InChIKeyWCCWICQGFUKHPL-UHFFFAOYSA-N
MW349.39 g/mol
LogP4.14
Rot. Bonds4

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

(4-methoxyphenyl) N-[4-amino-2-(2-aminophenyl)phenyl]carbamate (PubChem CID 68788093) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is (4-methoxyphenyl) N-[4-amino-2-(2-aminophenyl)phenyl]carbamate.

Molecular Properties

Compound Name(4-methoxyphenyl) N-[4-amino-2-(2-aminophenyl)phenyl]carbamate
PubChem CID68788093
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC Name(4-methoxyphenyl) N-[4-amino-2-(2-aminophenyl)phenyl]carbamate
SMILESCOc1ccc(OC(=O)Nc2ccc(N)cc2-c2ccccc2N)cc1
InChIInChI=1S/C20H19N3O3/c1-25-14-7-9-15(10-8-14)26-20(24)23-19-11-6-13(21)12-17(19)16-4-2-3-5-18(16)22/h2-12H,21-22H2,1H3,(H,23,24)
InChIKeyWCCWICQGFUKHPL-UHFFFAOYSA-N
XLogP4.14
TPSA99.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 54.14
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

(4-methoxyphenyl) N-(2-amino-5-phenylphenyl)carbamate
CID 68785591
(4-methoxyphenyl) N-(3-aminophenyl)carbamate
CID 12941472
5-methoxy-2-(phenoxycarbonylamino)benzoic acid
CID 115411200
phenyl N-(5-amino-2-fluorophenyl)carbamate
CID 43602338
(4-methoxyphenyl) N-(5-chloro-2-methoxyphenyl)carbamate
CID 3332616
2,4-diamino-N-(2,4-dimethoxyphenyl)benzamide
CID 61089728
benzyl N-[2-(2-aminonaphthalen-1-yl)-4-methoxyphenyl]carbamate
CID 53343709
2-amino-N-(2,4-dimethoxyphenyl)benzamide
CID 902679
1-(4-amino-2-bromophenyl)-3-(4-methoxyphenyl)urea
CID 43551408
benzyl N-[2-(2-aminophenyl)phenyl]carbamate
CID 68787776
(3,5-dimethoxyphenyl) N-phenylcarbamate
CID 23281948
(2-amino-4-methoxyphenyl)carbamic acid
CID 22317519

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl) N-[4-amino-2-(2-aminophenyl)phenyl]carbamate?
The IUPAC name of (4-methoxyphenyl) N-[4-amino-2-(2-aminophenyl)phenyl]carbamate (CID 68788093) is (4-methoxyphenyl) N-[4-amino-2-(2-aminophenyl)phenyl]carbamate.
What is the SMILES notation for (4-methoxyphenyl) N-[4-amino-2-(2-aminophenyl)phenyl]carbamate?
The canonical SMILES for (4-methoxyphenyl) N-[4-amino-2-(2-aminophenyl)phenyl]carbamate is COc1ccc(OC(=O)Nc2ccc(N)cc2-c2ccccc2N)cc1.
What is the InChIKey of (4-methoxyphenyl) N-[4-amino-2-(2-aminophenyl)phenyl]carbamate?
The InChIKey is WCCWICQGFUKHPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3/c1-25-14-7-9-15(10-8-14)26-20(24)23-19-11-6-13(21)12-17(19)16-4-2-3-5-18(16)22/h2-12H,21-22H2,1H3,(H,23,24).
What are the key properties of (4-methoxyphenyl) N-[4-amino-2-(2-aminophenyl)phenyl]carbamate?
(4-methoxyphenyl) N-[4-amino-2-(2-aminophenyl)phenyl]carbamate has a molecular weight of 349.39 g/mol, XLogP of 4.14, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl) N-[4-amino-2-(2-aminophenyl)phenyl]carbamate is sourced from PubChem (CID 68788093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).