N-(furan-2-ylmethyl)-2-[2-methylpropyl-[[2-(trifluoromethyl)phenyl]carbamoyl]amino]-N-(2-phenylethyl)acetamide

C27H30F3N3O3 — CID 5188830

IUPACN-(furan-2-ylmethyl)-2-[2-methylpropyl-[[2-(trifluoromethyl)phenyl]carbamoyl]amino]-N-(2-phenylethyl)acetamide
SMILESCC(C)CN(CC(=O)N(CCc1ccccc1)Cc1ccco1)C(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C27H30F3N3O3/c1-20(2)17-33(26(35)31-24-13-7-6-12-23(24)27(28,29)30)19-25(34)32(18-22-11-8-16-36-22)15-14-21-9-4-3-5-10-21/h3-13,16,20H,14-15,17-19H2,1-2H3,(H,31,35)
InChIKeyDCGHFLSDRZYHBD-UHFFFAOYSA-N
MW501.55 g/mol
LogP6.06
Rot. Bonds10

About N-(furan-2-ylmethyl)-2-[2-methylpropyl-[[2-(trifluoromethyl)phenyl]carbamoyl]amino]-N-(2-phenylethyl)acetamide

N-(furan-2-ylmethyl)-2-[2-methylpropyl-[[2-(trifluoromethyl)phenyl]carbamoyl]amino]-N-(2-phenylethyl)acetamide (PubChem CID 5188830) has the molecular formula C27H30F3N3O3 and a molecular weight of 501.55 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[2-methylpropyl-[[2-(trifluoromethyl)phenyl]carbamoyl]amino]-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-[2-methylpropyl-[[2-(trifluoromethyl)phenyl]carbamoyl]amino]-N-(2-phenylethyl)acetamide
PubChem CID5188830
Molecular FormulaC27H30F3N3O3
Molecular Weight501.55 g/mol
Exact Mass501.22
IUPAC NameN-(furan-2-ylmethyl)-2-[2-methylpropyl-[[2-(trifluoromethyl)phenyl]carbamoyl]amino]-N-(2-phenylethyl)acetamide
SMILESCC(C)CN(CC(=O)N(CCc1ccccc1)Cc1ccco1)C(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C27H30F3N3O3/c1-20(2)17-33(26(35)31-24-13-7-6-12-23(24)27(28,29)30)19-25(34)32(18-22-11-8-16-36-22)15-14-21-9-4-3-5-10-21/h3-13,16,20H,14-15,17-19H2,1-2H3,(H,31,35)
InChIKeyDCGHFLSDRZYHBD-UHFFFAOYSA-N
XLogP6.06
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.55
LogP ≤ 56.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(furan-2-ylmethyl)-2-[(2-methoxyphenyl)carbamoyl-(2-methylpropyl)amino]-N-(2-phenylethyl)acetamide
CID 4689277
2-[(4-bromophenyl)carbamoyl-(2-methylpropyl)amino]-N-(furan-2-ylmethyl)-N-(2-phenylethyl)acetamide
CID 3983423
2-[(2,4-dimethoxyphenyl)carbamoyl-(2-methylpropyl)amino]-N-(furan-2-ylmethyl)-N-(2-phenylethyl)acetamide
CID 3602263
2-[(3,4-dichlorophenyl)carbamoyl-(2-methylpropyl)amino]-N-(furan-2-ylmethyl)-N-(2-phenylethyl)acetamide
CID 4597509
N-(furan-2-ylmethyl)-2-[(2-methoxyacetyl)-(2-methylpropyl)amino]-N-(2-phenylethyl)acetamide
CID 3665303
4-ethyl-N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-N-(2-methylpropyl)benzamide
CID 4030396
2-[butan-2-yl-[[2-(trifluoromethyl)phenyl]carbamoyl]amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(furan-2-ylmethyl)acetamide
CID 3452751
2-[furan-2-ylmethyl-[(2-methylphenyl)carbamoyl]amino]-N-[(5-methylfuran-2-yl)methyl]-N-(2-phenylethyl)acetamide
CID 5110905
N-benzyl-N-(furan-2-ylmethyl)-2-[2-morpholin-4-ylethyl-[[2-(trifluoromethyl)phenyl]carbamoyl]amino]acetamide
CID 4983558
N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-N-(2-methylpropyl)octanamide
CID 3358499
3-bromo-N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-N-(2-methylpropyl)benzamide
CID 3572211
2-[(2-bromophenyl)carbamoyl-butan-2-ylamino]-N-(furan-2-ylmethyl)-N-(2-phenylethyl)acetamide
CID 3624786

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-[2-methylpropyl-[[2-(trifluoromethyl)phenyl]carbamoyl]amino]-N-(2-phenylethyl)acetamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-[2-methylpropyl-[[2-(trifluoromethyl)phenyl]carbamoyl]amino]-N-(2-phenylethyl)acetamide (CID 5188830) is N-(furan-2-ylmethyl)-2-[2-methylpropyl-[[2-(trifluoromethyl)phenyl]carbamoyl]amino]-N-(2-phenylethyl)acetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-[2-methylpropyl-[[2-(trifluoromethyl)phenyl]carbamoyl]amino]-N-(2-phenylethyl)acetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-[2-methylpropyl-[[2-(trifluoromethyl)phenyl]carbamoyl]amino]-N-(2-phenylethyl)acetamide is CC(C)CN(CC(=O)N(CCc1ccccc1)Cc1ccco1)C(=O)Nc1ccccc1C(F)(F)F.
What is the InChIKey of N-(furan-2-ylmethyl)-2-[2-methylpropyl-[[2-(trifluoromethyl)phenyl]carbamoyl]amino]-N-(2-phenylethyl)acetamide?
The InChIKey is DCGHFLSDRZYHBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30F3N3O3/c1-20(2)17-33(26(35)31-24-13-7-6-12-23(24)27(28,29)30)19-25(34)32(18-22-11-8-16-36-22)15-14-21-9-4-3-5-10-21/h3-13,16,20H,14-15,17-19H2,1-2H3,(H,31,35).
What are the key properties of N-(furan-2-ylmethyl)-2-[2-methylpropyl-[[2-(trifluoromethyl)phenyl]carbamoyl]amino]-N-(2-phenylethyl)acetamide?
N-(furan-2-ylmethyl)-2-[2-methylpropyl-[[2-(trifluoromethyl)phenyl]carbamoyl]amino]-N-(2-phenylethyl)acetamide has a molecular weight of 501.55 g/mol, XLogP of 6.06, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-[2-methylpropyl-[[2-(trifluoromethyl)phenyl]carbamoyl]amino]-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 5188830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).