(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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;tris(4-methyl-N,N-diphenylaniline)
CID 159159918
4-N,4-N-bis(4-methylphenyl)-1-N-phenyl-1-N-[4-[4-(N-phenylanilino)phenyl]phenyl]benzene-1,4-diamine
CID 171844865
4-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine
CID 165386569
1-N-[4-[4-(N-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]anilino)phenyl]phenyl]-4-N,4-N-bis(4-methylphenyl)-1-N-phenylbenzene-1,4-diamine
CID 21351107
4-methyl-N-[4-[4-(N-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline
CID 22598588
cobalt;bis(diphenylcarbamic acid)
CID 155679078
tert-butyl N-[4-(4-methyl-N-[4-[4-[4-[N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]-N-[4-[N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]phenyl]anilino]-N-[4-[N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]phenyl]anilino]phenyl]anilino)phenyl]-N-phenylcarbamate
CID 122607216
N,N-bis[4-[4-[4-(N-phenylanilino)phenyl]phenyl]phenyl]acetamide
CID 59793191
1,1-dimethyl-3-(4-methylphenyl)-3-phenylurea
CID 15856392
2,2,2-trifluoro-N-(4-methylphenyl)-N-phenylacetamide
CID 19733750
1-N-methyl-1-N,4-N-bis(4-methylphenyl)-4-N-phenylbenzene-1,4-diamine
CID 59431689
3-N-(4-methylphenyl)-3-N-[4-(4-methyl-N-[3-(N-phenylanilino)phenyl]anilino)phenyl]-1-N,1-N-diphenylbenzene-1,3-diamine
CID 59866528

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).