N-[4-[[4-[[4-(2,2-dimethylpropanoylamino)anilino]methyl]phenyl]methylamino]phenyl]-2,2-dimethylpropanamide

C30H38N4O2 — CID 155301754

IUPACN-[4-[[4-[[4-(2,2-dimethylpropanoylamino)anilino]methyl]phenyl]methylamino]phenyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1ccc(NCc2ccc(CNc3ccc(NC(=O)C(C)(C)C)cc3)cc2)cc1
InChIInChI=1S/C30H38N4O2/c1-29(2,3)27(35)33-25-15-11-23(12-16-25)31-19-21-7-9-22(10-8-21)20-32-24-13-17-26(18-14-24)34-28(36)30(4,5)6/h7-18,31-32H,19-20H2,1-6H3,(H,33,35)(H,34,36)
InChIKeyOYBUQPUXPDUETF-UHFFFAOYSA-N
MW486.66 g/mol
LogP6.88
Rot. Bonds8

About N-[4-[[4-[[4-(2,2-dimethylpropanoylamino)anilino]methyl]phenyl]methylamino]phenyl]-2,2-dimethylpropanamide

N-[4-[[4-[[4-(2,2-dimethylpropanoylamino)anilino]methyl]phenyl]methylamino]phenyl]-2,2-dimethylpropanamide (PubChem CID 155301754) has the molecular formula C30H38N4O2 and a molecular weight of 486.66 g/mol. Its IUPAC name is N-[4-[[4-[[4-(2,2-dimethylpropanoylamino)anilino]methyl]phenyl]methylamino]phenyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[4-[[4-[[4-(2,2-dimethylpropanoylamino)anilino]methyl]phenyl]methylamino]phenyl]-2,2-dimethylpropanamide
PubChem CID155301754
Molecular FormulaC30H38N4O2
Molecular Weight486.66 g/mol
Exact Mass486.30
IUPAC NameN-[4-[[4-[[4-(2,2-dimethylpropanoylamino)anilino]methyl]phenyl]methylamino]phenyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1ccc(NCc2ccc(CNc3ccc(NC(=O)C(C)(C)C)cc3)cc2)cc1
InChIInChI=1S/C30H38N4O2/c1-29(2,3)27(35)33-25-15-11-23(12-16-25)31-19-21-7-9-22(10-8-21)20-32-24-13-17-26(18-14-24)34-28(36)30(4,5)6/h7-18,31-32H,19-20H2,1-6H3,(H,33,35)(H,34,36)
InChIKeyOYBUQPUXPDUETF-UHFFFAOYSA-N
XLogP6.88
TPSA82.26 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.66
LogP ≤ 56.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze N-[4-[[4-[[4-(2,2-dimethylpropanoylamino)anilino]methyl]phenyl]methylamino]phenyl]-2,2-dimethylpropanamide with MolForge

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Related Compounds

N-[4-[(4-fluorophenyl)methylamino]phenyl]-2,2-dimethylpropanamide
CID 112982446
2,2-dimethyl-N-[4-[(2-methylhydrazinyl)methyl]phenyl]propanamide
CID 159222275
2,2-dimethyl-N-[4-(sulfanylmethyl)phenyl]propanamide
CID 176900093
4-[(4-acetamidophenyl)methylamino]benzoic acid
CID 43139218
N-(4-butylphenyl)-2,2-dimethylpropanamide
CID 4601922
2,2-dimethyl-N-[4-(pyridin-4-ylmethyl)phenyl]propanamide
CID 2995900
N-[4-(2-aminopropyl)phenyl]-2,2-dimethylpropanamide
CID 82259731
N-[5-[[4-(hydroxymethyl)phenyl]methylamino]-2-methylphenyl]-2,2-dimethylpropanamide
CID 110006658
4-[[5-(2,2-dimethylpropanoylamino)-2-methylanilino]methyl]benzoic acid
CID 122029834
N-[5-(benzylamino)-2-pyridinyl]-2,2-dimethylpropanamide
CID 113026364
5-[4-(2,2-dimethylpropanoylamino)phenyl]pentanoic acid
CID 82260196
N-[4-[3-(dimethylamino)-3-oxopropyl]phenyl]-2,2-dimethylpropanamide
CID 46760394

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-[[4-(2,2-dimethylpropanoylamino)anilino]methyl]phenyl]methylamino]phenyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[4-[[4-[[4-(2,2-dimethylpropanoylamino)anilino]methyl]phenyl]methylamino]phenyl]-2,2-dimethylpropanamide (CID 155301754) is N-[4-[[4-[[4-(2,2-dimethylpropanoylamino)anilino]methyl]phenyl]methylamino]phenyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[4-[[4-[[4-(2,2-dimethylpropanoylamino)anilino]methyl]phenyl]methylamino]phenyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[4-[[4-[[4-(2,2-dimethylpropanoylamino)anilino]methyl]phenyl]methylamino]phenyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)Nc1ccc(NCc2ccc(CNc3ccc(NC(=O)C(C)(C)C)cc3)cc2)cc1.
What is the InChIKey of N-[4-[[4-[[4-(2,2-dimethylpropanoylamino)anilino]methyl]phenyl]methylamino]phenyl]-2,2-dimethylpropanamide?
The InChIKey is OYBUQPUXPDUETF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38N4O2/c1-29(2,3)27(35)33-25-15-11-23(12-16-25)31-19-21-7-9-22(10-8-21)20-32-24-13-17-26(18-14-24)34-28(36)30(4,5)6/h7-18,31-32H,19-20H2,1-6H3,(H,33,35)(H,34,36).
What are the key properties of N-[4-[[4-[[4-(2,2-dimethylpropanoylamino)anilino]methyl]phenyl]methylamino]phenyl]-2,2-dimethylpropanamide?
N-[4-[[4-[[4-(2,2-dimethylpropanoylamino)anilino]methyl]phenyl]methylamino]phenyl]-2,2-dimethylpropanamide has a molecular weight of 486.66 g/mol, XLogP of 6.88, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-[[4-(2,2-dimethylpropanoylamino)anilino]methyl]phenyl]methylamino]phenyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 155301754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).