N-(4-methoxyphenyl)-2-[4-[propan-2-ylcarbamoyl-[[4-(trifluoromethyl)phenyl]methyl]amino]phenyl]acetamide

C27H28F3N3O3 — CID 42852959

IUPACN-(4-methoxyphenyl)-2-[4-[propan-2-ylcarbamoyl-[[4-(trifluoromethyl)phenyl]methyl]amino]phenyl]acetamide
SMILESCOc1ccc(NC(=O)Cc2ccc(N(Cc3ccc(C(F)(F)F)cc3)C(=O)NC(C)C)cc2)cc1
InChIInChI=1S/C27H28F3N3O3/c1-18(2)31-26(35)33(17-20-4-8-21(9-5-20)27(28,29)30)23-12-6-19(7-13-23)16-25(34)32-22-10-14-24(36-3)15-11-22/h4-15,18H,16-17H2,1-3H3,(H,31,35)(H,32,34)
InChIKeyBHORTJRXEYGKCT-UHFFFAOYSA-N
MW499.53 g/mol
LogP6.02
Rot. Bonds8

About N-(4-methoxyphenyl)-2-[4-[propan-2-ylcarbamoyl-[[4-(trifluoromethyl)phenyl]methyl]amino]phenyl]acetamide

N-(4-methoxyphenyl)-2-[4-[propan-2-ylcarbamoyl-[[4-(trifluoromethyl)phenyl]methyl]amino]phenyl]acetamide (PubChem CID 42852959) has the molecular formula C27H28F3N3O3 and a molecular weight of 499.53 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-[4-[propan-2-ylcarbamoyl-[[4-(trifluoromethyl)phenyl]methyl]amino]phenyl]acetamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-[4-[propan-2-ylcarbamoyl-[[4-(trifluoromethyl)phenyl]methyl]amino]phenyl]acetamide
PubChem CID42852959
Molecular FormulaC27H28F3N3O3
Molecular Weight499.53 g/mol
Exact Mass499.21
IUPAC NameN-(4-methoxyphenyl)-2-[4-[propan-2-ylcarbamoyl-[[4-(trifluoromethyl)phenyl]methyl]amino]phenyl]acetamide
SMILESCOc1ccc(NC(=O)Cc2ccc(N(Cc3ccc(C(F)(F)F)cc3)C(=O)NC(C)C)cc2)cc1
InChIInChI=1S/C27H28F3N3O3/c1-18(2)31-26(35)33(17-20-4-8-21(9-5-20)27(28,29)30)23-12-6-19(7-13-23)16-25(34)32-22-10-14-24(36-3)15-11-22/h4-15,18H,16-17H2,1-3H3,(H,31,35)(H,32,34)
InChIKeyBHORTJRXEYGKCT-UHFFFAOYSA-N
XLogP6.02
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.53
LogP ≤ 56.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(4-methoxyphenyl)-2-[4-[propan-2-ylcarbamoyl-[[4-(trifluoromethyl)phenyl]methyl]amino]phenyl]acetamide with MolForge

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Related Compounds

N-[(2S)-butan-2-yl]-2-[4-[propan-2-ylcarbamoyl-[[4-(trifluoromethyl)phenyl]methyl]amino]phenyl]acetamide
CID 93329546
N-ethyl-N-methyl-2-[4-[propan-2-ylcarbamoyl-[[4-(trifluoromethyl)phenyl]methyl]amino]phenyl]acetamide
CID 46046919
N-[4-(propan-2-ylcarbamoylamino)phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 38197953
2-[4-[propan-2-ylcarbamoyl-[[4-(trifluoromethyl)phenyl]methyl]amino]phenyl]-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 46052748
N-benzyl-N-[4-[2-(4-methoxyanilino)-2-oxoethyl]phenyl]propanamide
CID 46045773
N-(4-fluorophenyl)-2-[3-[(4-fluorophenyl)methyl-(propan-2-ylcarbamoyl)amino]phenyl]acetamide
CID 46056352
N-[4-(difluoromethoxy)phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 27147330
N-(3-morpholin-4-ylpropyl)-2-[4-[propan-2-ylcarbamoyl-[[4-(trifluoromethyl)phenyl]methyl]amino]phenyl]acetamide
CID 46046898
N-(4-methoxyphenyl)-2-[4-(trifluoromethoxy)phenyl]acetamide
CID 46484833
N-(4-acetamidophenyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 51271866
2-(4-methoxyphenyl)-N-propan-2-ylacetamide
CID 813075
N-benzyl-N-[4-[2-(4-methoxyanilino)-2-oxoethyl]phenyl]-4-methylbenzamide
CID 46045788

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-[4-[propan-2-ylcarbamoyl-[[4-(trifluoromethyl)phenyl]methyl]amino]phenyl]acetamide?
The IUPAC name of N-(4-methoxyphenyl)-2-[4-[propan-2-ylcarbamoyl-[[4-(trifluoromethyl)phenyl]methyl]amino]phenyl]acetamide (CID 42852959) is N-(4-methoxyphenyl)-2-[4-[propan-2-ylcarbamoyl-[[4-(trifluoromethyl)phenyl]methyl]amino]phenyl]acetamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-[4-[propan-2-ylcarbamoyl-[[4-(trifluoromethyl)phenyl]methyl]amino]phenyl]acetamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-[4-[propan-2-ylcarbamoyl-[[4-(trifluoromethyl)phenyl]methyl]amino]phenyl]acetamide is COc1ccc(NC(=O)Cc2ccc(N(Cc3ccc(C(F)(F)F)cc3)C(=O)NC(C)C)cc2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-[4-[propan-2-ylcarbamoyl-[[4-(trifluoromethyl)phenyl]methyl]amino]phenyl]acetamide?
The InChIKey is BHORTJRXEYGKCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28F3N3O3/c1-18(2)31-26(35)33(17-20-4-8-21(9-5-20)27(28,29)30)23-12-6-19(7-13-23)16-25(34)32-22-10-14-24(36-3)15-11-22/h4-15,18H,16-17H2,1-3H3,(H,31,35)(H,32,34).
What are the key properties of N-(4-methoxyphenyl)-2-[4-[propan-2-ylcarbamoyl-[[4-(trifluoromethyl)phenyl]methyl]amino]phenyl]acetamide?
N-(4-methoxyphenyl)-2-[4-[propan-2-ylcarbamoyl-[[4-(trifluoromethyl)phenyl]methyl]amino]phenyl]acetamide has a molecular weight of 499.53 g/mol, XLogP of 6.02, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-[4-[propan-2-ylcarbamoyl-[[4-(trifluoromethyl)phenyl]methyl]amino]phenyl]acetamide is sourced from PubChem (CID 42852959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).