(4-methylphenyl)-[4-(N-(4-methylphenyl)anilino)phenyl]carbamic acid

C27H24N2O2 — CID 67427194

IUPAC(4-methylphenyl)-[4-(N-(4-methylphenyl)anilino)phenyl]carbamic acid
SMILESCc1ccc(N(C(=O)O)c2ccc(N(c3ccccc3)c3ccc(C)cc3)cc2)cc1
InChIInChI=1S/C27H24N2O2/c1-20-8-12-23(13-9-20)28(22-6-4-3-5-7-22)24-16-18-26(19-17-24)29(27(30)31)25-14-10-21(2)11-15-25/h3-19H,1-2H3,(H,30,31)
InChIKeyDNBOALABGGYGOC-UHFFFAOYSA-N
MW408.50 g/mol
LogP7.59
Rot. Bonds5

About (4-methylphenyl)-[4-(N-(4-methylphenyl)anilino)phenyl]carbamic acid

(4-methylphenyl)-[4-(N-(4-methylphenyl)anilino)phenyl]carbamic acid (PubChem CID 67427194) has the molecular formula C27H24N2O2 and a molecular weight of 408.50 g/mol. Its IUPAC name is (4-methylphenyl)-[4-(N-(4-methylphenyl)anilino)phenyl]carbamic acid.

Molecular Properties

Compound Name(4-methylphenyl)-[4-(N-(4-methylphenyl)anilino)phenyl]carbamic acid
PubChem CID67427194
Molecular FormulaC27H24N2O2
Molecular Weight408.50 g/mol
Exact Mass408.18
IUPAC Name(4-methylphenyl)-[4-(N-(4-methylphenyl)anilino)phenyl]carbamic acid
SMILESCc1ccc(N(C(=O)O)c2ccc(N(c3ccccc3)c3ccc(C)cc3)cc2)cc1
InChIInChI=1S/C27H24N2O2/c1-20-8-12-23(13-9-20)28(22-6-4-3-5-7-22)24-16-18-26(19-17-24)29(27(30)31)25-14-10-21(2)11-15-25/h3-19H,1-2H3,(H,30,31)
InChIKeyDNBOALABGGYGOC-UHFFFAOYSA-N
XLogP7.59
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.50
LogP ≤ 57.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)-[4-(N-(4-methylphenyl)anilino)phenyl]carbamic acid?
The IUPAC name of (4-methylphenyl)-[4-(N-(4-methylphenyl)anilino)phenyl]carbamic acid (CID 67427194) is (4-methylphenyl)-[4-(N-(4-methylphenyl)anilino)phenyl]carbamic acid.
What is the SMILES notation for (4-methylphenyl)-[4-(N-(4-methylphenyl)anilino)phenyl]carbamic acid?
The canonical SMILES for (4-methylphenyl)-[4-(N-(4-methylphenyl)anilino)phenyl]carbamic acid is Cc1ccc(N(C(=O)O)c2ccc(N(c3ccccc3)c3ccc(C)cc3)cc2)cc1.
What is the InChIKey of (4-methylphenyl)-[4-(N-(4-methylphenyl)anilino)phenyl]carbamic acid?
The InChIKey is DNBOALABGGYGOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N2O2/c1-20-8-12-23(13-9-20)28(22-6-4-3-5-7-22)24-16-18-26(19-17-24)29(27(30)31)25-14-10-21(2)11-15-25/h3-19H,1-2H3,(H,30,31).
What are the key properties of (4-methylphenyl)-[4-(N-(4-methylphenyl)anilino)phenyl]carbamic acid?
(4-methylphenyl)-[4-(N-(4-methylphenyl)anilino)phenyl]carbamic acid has a molecular weight of 408.50 g/mol, XLogP of 7.59, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)-[4-(N-(4-methylphenyl)anilino)phenyl]carbamic acid is sourced from PubChem (CID 67427194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).