N-benzyl-3-[1-phenylethyl-[[4-(trifluoromethyl)phenyl]carbamoyl]amino]propanamide

C26H26F3N3O2 — CID 42698745

IUPACN-benzyl-3-[1-phenylethyl-[[4-(trifluoromethyl)phenyl]carbamoyl]amino]propanamide
SMILESCC(c1ccccc1)N(CCC(=O)NCc1ccccc1)C(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C26H26F3N3O2/c1-19(21-10-6-3-7-11-21)32(17-16-24(33)30-18-20-8-4-2-5-9-20)25(34)31-23-14-12-22(13-15-23)26(27,28)29/h2-15,19H,16-18H2,1H3,(H,30,33)(H,31,34)
InChIKeyFBKHEYYTEURTHH-UHFFFAOYSA-N
MW469.51 g/mol
LogP6.01
Rot. Bonds8

About N-benzyl-3-[1-phenylethyl-[[4-(trifluoromethyl)phenyl]carbamoyl]amino]propanamide

N-benzyl-3-[1-phenylethyl-[[4-(trifluoromethyl)phenyl]carbamoyl]amino]propanamide (PubChem CID 42698745) has the molecular formula C26H26F3N3O2 and a molecular weight of 469.51 g/mol. Its IUPAC name is N-benzyl-3-[1-phenylethyl-[[4-(trifluoromethyl)phenyl]carbamoyl]amino]propanamide.

Molecular Properties

Compound NameN-benzyl-3-[1-phenylethyl-[[4-(trifluoromethyl)phenyl]carbamoyl]amino]propanamide
PubChem CID42698745
Molecular FormulaC26H26F3N3O2
Molecular Weight469.51 g/mol
Exact Mass469.20
IUPAC NameN-benzyl-3-[1-phenylethyl-[[4-(trifluoromethyl)phenyl]carbamoyl]amino]propanamide
SMILESCC(c1ccccc1)N(CCC(=O)NCc1ccccc1)C(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C26H26F3N3O2/c1-19(21-10-6-3-7-11-21)32(17-16-24(33)30-18-20-8-4-2-5-9-20)25(34)31-23-14-12-22(13-15-23)26(27,28)29/h2-15,19H,16-18H2,1H3,(H,30,33)(H,31,34)
InChIKeyFBKHEYYTEURTHH-UHFFFAOYSA-N
XLogP6.01
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.51
LogP ≤ 56.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(3-fluorophenyl)carbamoyl-(1-phenylethyl)amino]-N-(2-phenylethyl)propanamide
CID 42702942
1-(3,3-diphenylpropyl)-1-(2-methylpropyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 69028477
3-[benzyl(propan-2-yl)amino]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 109031832
3-(3-chlorophenyl)-1-(1-phenylethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]urea
CID 42696051
1-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-1-butan-2-yl-3-[4-(trifluoromethyl)phenyl]urea
CID 42699164
3-[(3-methoxyphenyl)carbamoyl-(1-phenylethyl)amino]-N-(2-phenylethyl)propanamide
CID 42702946
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[phenylcarbamoyl(1-phenylethyl)amino]propanamide
CID 42703210
2-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 102432449
3-[(4-bromophenyl)carbamoyl-(1-phenylethyl)amino]-N-(2-morpholin-4-ylethyl)propanamide
CID 42703232
3-(benzylamino)-N-[4-(trifluoromethyl)phenyl]propanamide
CID 42695490
3-(1-phenylethylamino)-N-[4-(trifluoromethyl)phenyl]propanamide
CID 109020331
3-methyl-5-phenyl-N-[4-(trifluoromethyl)phenyl]pentanamide
CID 175774255

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[1-phenylethyl-[[4-(trifluoromethyl)phenyl]carbamoyl]amino]propanamide?
The IUPAC name of N-benzyl-3-[1-phenylethyl-[[4-(trifluoromethyl)phenyl]carbamoyl]amino]propanamide (CID 42698745) is N-benzyl-3-[1-phenylethyl-[[4-(trifluoromethyl)phenyl]carbamoyl]amino]propanamide.
What is the SMILES notation for N-benzyl-3-[1-phenylethyl-[[4-(trifluoromethyl)phenyl]carbamoyl]amino]propanamide?
The canonical SMILES for N-benzyl-3-[1-phenylethyl-[[4-(trifluoromethyl)phenyl]carbamoyl]amino]propanamide is CC(c1ccccc1)N(CCC(=O)NCc1ccccc1)C(=O)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-benzyl-3-[1-phenylethyl-[[4-(trifluoromethyl)phenyl]carbamoyl]amino]propanamide?
The InChIKey is FBKHEYYTEURTHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F3N3O2/c1-19(21-10-6-3-7-11-21)32(17-16-24(33)30-18-20-8-4-2-5-9-20)25(34)31-23-14-12-22(13-15-23)26(27,28)29/h2-15,19H,16-18H2,1H3,(H,30,33)(H,31,34).
What are the key properties of N-benzyl-3-[1-phenylethyl-[[4-(trifluoromethyl)phenyl]carbamoyl]amino]propanamide?
N-benzyl-3-[1-phenylethyl-[[4-(trifluoromethyl)phenyl]carbamoyl]amino]propanamide has a molecular weight of 469.51 g/mol, XLogP of 6.01, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[1-phenylethyl-[[4-(trifluoromethyl)phenyl]carbamoyl]amino]propanamide is sourced from PubChem (CID 42698745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).