N,N'-bis[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]oxamide

C42H38N4O6 — CID 134218618

IUPACN,N'-bis[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]oxamide
SMILESCOc1ccc(N(c2ccc(NC(=O)C(=O)Nc3ccc(N(c4ccc(OC)cc4)c4ccc(OC)cc4)cc3)cc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C42H38N4O6/c1-49-37-21-13-33(14-22-37)45(34-15-23-38(50-2)24-16-34)31-9-5-29(6-10-31)43-41(47)42(48)44-30-7-11-32(12-8-30)46(35-17-25-39(51-3)26-18-35)36-19-27-40(52-4)28-20-36/h5-28H,1-4H3,(H,43,47)(H,44,48)
InChIKeyPNGNLHXJANOTEN-UHFFFAOYSA-N
MW694.79 g/mol
LogP9.24
Rot. Bonds12

About N,N'-bis[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]oxamide

N,N'-bis[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]oxamide (PubChem CID 134218618) has the molecular formula C42H38N4O6 and a molecular weight of 694.79 g/mol. Its IUPAC name is N,N'-bis[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]oxamide.

Molecular Properties

Compound NameN,N'-bis[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]oxamide
PubChem CID134218618
Molecular FormulaC42H38N4O6
Molecular Weight694.79 g/mol
Exact Mass694.28
IUPAC NameN,N'-bis[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]oxamide
SMILESCOc1ccc(N(c2ccc(NC(=O)C(=O)Nc3ccc(N(c4ccc(OC)cc4)c4ccc(OC)cc4)cc3)cc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C42H38N4O6/c1-49-37-21-13-33(14-22-37)45(34-15-23-38(50-2)24-16-34)31-9-5-29(6-10-31)43-41(47)42(48)44-30-7-11-32(12-8-30)46(35-17-25-39(51-3)26-18-35)36-19-27-40(52-4)28-20-36/h5-28H,1-4H3,(H,43,47)(H,44,48)
InChIKeyPNGNLHXJANOTEN-UHFFFAOYSA-N
XLogP9.24
TPSA101.60 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500694.79
LogP ≤ 59.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze N,N'-bis[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]oxamide 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

N'-(4-fluorophenyl)-N-(4-methoxyphenyl)oxamide
CID 44995864
3,4-dihydroxy-2-N,5-N-bis[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]thiophene-2,5-dicarboxamide
CID 134218819
2-(4-methoxyanilino)-2-oxoacetic acid
CID 4962374
1-[4-(diethylamino)phenyl]-3-(4-methoxyphenyl)urea
CID 108866363
1-[(4-methoxyphenyl)carbamoyl]-1,3-bis(4-methylphenyl)urea
CID 102245871
1-N,1-N,4-N,4-N-tetrakis(4-methoxyphenyl)benzene-1,4-diamine
CID 18996647
N-(4-methoxyphenyl)-N'-(4-phenoxyphenyl)oxamide
CID 44995857
N'-[4-(diethylamino)phenyl]-N-[2-(4-methoxyphenyl)ethyl]oxamide
CID 108507482
1,3-bis(4-methoxyphenyl)urea
CID 139045428
copper bis(2-(4-methoxyanilino)-2-oxoacetate)
CID 52913680
N-[2-(diethylamino)ethyl]-N'-(4-methoxyphenyl)oxamide
CID 7541375
2-chloro-N-(4-methoxyphenyl)prop-2-enamide
CID 29979

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]oxamide?
The IUPAC name of N,N'-bis[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]oxamide (CID 134218618) is N,N'-bis[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]oxamide.
What is the SMILES notation for N,N'-bis[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]oxamide?
The canonical SMILES for N,N'-bis[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]oxamide is COc1ccc(N(c2ccc(NC(=O)C(=O)Nc3ccc(N(c4ccc(OC)cc4)c4ccc(OC)cc4)cc3)cc2)c2ccc(OC)cc2)cc1.
What is the InChIKey of N,N'-bis[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]oxamide?
The InChIKey is PNGNLHXJANOTEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H38N4O6/c1-49-37-21-13-33(14-22-37)45(34-15-23-38(50-2)24-16-34)31-9-5-29(6-10-31)43-41(47)42(48)44-30-7-11-32(12-8-30)46(35-17-25-39(51-3)26-18-35)36-19-27-40(52-4)28-20-36/h5-28H,1-4H3,(H,43,47)(H,44,48).
What are the key properties of N,N'-bis[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]oxamide?
N,N'-bis[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]oxamide has a molecular weight of 694.79 g/mol, XLogP of 9.24, 12 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]oxamide is sourced from PubChem (CID 134218618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).