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

C23H28F3N3O2 — CID 46046919

IUPACN-ethyl-N-methyl-2-[4-[propan-2-ylcarbamoyl-[[4-(trifluoromethyl)phenyl]methyl]amino]phenyl]acetamide
SMILESCCN(C)C(=O)Cc1ccc(N(Cc2ccc(C(F)(F)F)cc2)C(=O)NC(C)C)cc1
InChIInChI=1S/C23H28F3N3O2/c1-5-28(4)21(30)14-17-8-12-20(13-9-17)29(22(31)27-16(2)3)15-18-6-10-19(11-7-18)23(24,25)26/h6-13,16H,5,14-15H2,1-4H3,(H,27,31)
InChIKeyYUSWJCVHZPGIJS-UHFFFAOYSA-N
MW435.49 g/mol
LogP4.85
Rot. Bonds7

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

N-ethyl-N-methyl-2-[4-[propan-2-ylcarbamoyl-[[4-(trifluoromethyl)phenyl]methyl]amino]phenyl]acetamide (PubChem CID 46046919) has the molecular formula C23H28F3N3O2 and a molecular weight of 435.49 g/mol. Its IUPAC name is N-ethyl-N-methyl-2-[4-[propan-2-ylcarbamoyl-[[4-(trifluoromethyl)phenyl]methyl]amino]phenyl]acetamide.

Molecular Properties

Compound NameN-ethyl-N-methyl-2-[4-[propan-2-ylcarbamoyl-[[4-(trifluoromethyl)phenyl]methyl]amino]phenyl]acetamide
PubChem CID46046919
Molecular FormulaC23H28F3N3O2
Molecular Weight435.49 g/mol
Exact Mass435.21
IUPAC NameN-ethyl-N-methyl-2-[4-[propan-2-ylcarbamoyl-[[4-(trifluoromethyl)phenyl]methyl]amino]phenyl]acetamide
SMILESCCN(C)C(=O)Cc1ccc(N(Cc2ccc(C(F)(F)F)cc2)C(=O)NC(C)C)cc1
InChIInChI=1S/C23H28F3N3O2/c1-5-28(4)21(30)14-17-8-12-20(13-9-17)29(22(31)27-16(2)3)15-18-6-10-19(11-7-18)23(24,25)26/h6-13,16H,5,14-15H2,1-4H3,(H,27,31)
InChIKeyYUSWJCVHZPGIJS-UHFFFAOYSA-N
XLogP4.85
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.49
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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-(4-methoxyphenyl)-2-[4-[propan-2-ylcarbamoyl-[[4-(trifluoromethyl)phenyl]methyl]amino]phenyl]acetamide
CID 42852959
2-[4-[propan-2-ylcarbamoyl-[[4-(trifluoromethyl)phenyl]methyl]amino]phenyl]-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 46052748
N-(3-morpholin-4-ylpropyl)-2-[4-[propan-2-ylcarbamoyl-[[4-(trifluoromethyl)phenyl]methyl]amino]phenyl]acetamide
CID 46046898
2-(4-bromophenyl)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 55330788
2-(4-methoxyphenyl)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 78771326
N-methyl-3-(propan-2-ylamino)-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 61259107
N-(3,4-difluorophenyl)-N-ethyl-2-[4-(trifluoromethyl)phenyl]acetamide
CID 55591847
3-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-3-oxopropanoic acid
CID 62231889
N-(2-chloroethyl)-N-ethyl-2-[4-(trifluoromethyl)phenyl]acetamide
CID 63395080
3-[N-acetyl-4-(trifluoromethyl)anilino]-N-propan-2-ylpropanamide
CID 113130512
N-[4-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]phenyl]-2-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 46052325

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-methyl-2-[4-[propan-2-ylcarbamoyl-[[4-(trifluoromethyl)phenyl]methyl]amino]phenyl]acetamide?
The IUPAC name of N-ethyl-N-methyl-2-[4-[propan-2-ylcarbamoyl-[[4-(trifluoromethyl)phenyl]methyl]amino]phenyl]acetamide (CID 46046919) is N-ethyl-N-methyl-2-[4-[propan-2-ylcarbamoyl-[[4-(trifluoromethyl)phenyl]methyl]amino]phenyl]acetamide.
What is the SMILES notation for N-ethyl-N-methyl-2-[4-[propan-2-ylcarbamoyl-[[4-(trifluoromethyl)phenyl]methyl]amino]phenyl]acetamide?
The canonical SMILES for N-ethyl-N-methyl-2-[4-[propan-2-ylcarbamoyl-[[4-(trifluoromethyl)phenyl]methyl]amino]phenyl]acetamide is CCN(C)C(=O)Cc1ccc(N(Cc2ccc(C(F)(F)F)cc2)C(=O)NC(C)C)cc1.
What is the InChIKey of N-ethyl-N-methyl-2-[4-[propan-2-ylcarbamoyl-[[4-(trifluoromethyl)phenyl]methyl]amino]phenyl]acetamide?
The InChIKey is YUSWJCVHZPGIJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28F3N3O2/c1-5-28(4)21(30)14-17-8-12-20(13-9-17)29(22(31)27-16(2)3)15-18-6-10-19(11-7-18)23(24,25)26/h6-13,16H,5,14-15H2,1-4H3,(H,27,31).
What are the key properties of N-ethyl-N-methyl-2-[4-[propan-2-ylcarbamoyl-[[4-(trifluoromethyl)phenyl]methyl]amino]phenyl]acetamide?
N-ethyl-N-methyl-2-[4-[propan-2-ylcarbamoyl-[[4-(trifluoromethyl)phenyl]methyl]amino]phenyl]acetamide has a molecular weight of 435.49 g/mol, XLogP of 4.85, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methyl-2-[4-[propan-2-ylcarbamoyl-[[4-(trifluoromethyl)phenyl]methyl]amino]phenyl]acetamide is sourced from PubChem (CID 46046919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).