2-[[2-ethoxy-5-(trifluoromethyl)phenyl]carbamoylamino]-N-(2-methylpropyl)acetamide

C16H22F3N3O3 — CID 49280392

IUPAC2-[[2-ethoxy-5-(trifluoromethyl)phenyl]carbamoylamino]-N-(2-methylpropyl)acetamide
SMILESCCOc1ccc(C(F)(F)F)cc1NC(=O)NCC(=O)NCC(C)C
InChIInChI=1S/C16H22F3N3O3/c1-4-25-13-6-5-11(16(17,18)19)7-12(13)22-15(24)21-9-14(23)20-8-10(2)3/h5-7,10H,4,8-9H2,1-3H3,(H,20,23)(H2,21,22,24)
InChIKeyIQJCBNYWRYKBPT-UHFFFAOYSA-N
MW361.36 g/mol
LogP3.00
Rot. Bonds7

About 2-[[2-ethoxy-5-(trifluoromethyl)phenyl]carbamoylamino]-N-(2-methylpropyl)acetamide

2-[[2-ethoxy-5-(trifluoromethyl)phenyl]carbamoylamino]-N-(2-methylpropyl)acetamide (PubChem CID 49280392) has the molecular formula C16H22F3N3O3 and a molecular weight of 361.36 g/mol. Its IUPAC name is 2-[[2-ethoxy-5-(trifluoromethyl)phenyl]carbamoylamino]-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-[[2-ethoxy-5-(trifluoromethyl)phenyl]carbamoylamino]-N-(2-methylpropyl)acetamide
PubChem CID49280392
Molecular FormulaC16H22F3N3O3
Molecular Weight361.36 g/mol
Exact Mass361.16
IUPAC Name2-[[2-ethoxy-5-(trifluoromethyl)phenyl]carbamoylamino]-N-(2-methylpropyl)acetamide
SMILESCCOc1ccc(C(F)(F)F)cc1NC(=O)NCC(=O)NCC(C)C
InChIInChI=1S/C16H22F3N3O3/c1-4-25-13-6-5-11(16(17,18)19)7-12(13)22-15(24)21-9-14(23)20-8-10(2)3/h5-7,10H,4,8-9H2,1-3H3,(H,20,23)(H2,21,22,24)
InChIKeyIQJCBNYWRYKBPT-UHFFFAOYSA-N
XLogP3.00
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.36
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-ethoxy-5-(trifluoromethyl)phenyl]-3-propan-2-ylurea
CID 60586531
1-[2-ethoxy-5-(trifluoromethyl)phenyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea
CID 47749828
2-chloro-N-[2-ethoxy-5-(trifluoromethyl)phenyl]acetamide
CID 698335
1-[2-ethoxy-5-(trifluoromethyl)phenyl]-3-(4-hydroxy-2,2-dimethylbutyl)urea
CID 111474249
N-[2-[2-ethoxy-5-(trifluoromethyl)anilino]-2-oxoethyl]-2-(3-fluorophenyl)acetamide
CID 47898138
1-[2-ethoxy-5-(trifluoromethyl)phenyl]-3-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]urea
CID 97435717
1-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-3-[2-ethoxy-5-(trifluoromethyl)phenyl]urea
CID 118766107
1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[2-ethoxy-5-(trifluoromethyl)phenyl]urea
CID 60586475
N-[2-(2-methylpropylamino)-2-oxoethyl]-4-(trifluoromethyl)benzamide
CID 86976279
N-carbamoyl-2-[2-ethoxy-5-(trifluoromethyl)anilino]acetamide
CID 47077756
N-[2-ethoxy-5-(trifluoromethyl)phenyl]-3,4-dimethoxybenzamide
CID 1251443
N-[2-ethoxy-5-(trifluoromethyl)phenyl]-3-piperidin-4-ylbutanamide
CID 119744029

Frequently Asked Questions

What is the IUPAC name of 2-[[2-ethoxy-5-(trifluoromethyl)phenyl]carbamoylamino]-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-[[2-ethoxy-5-(trifluoromethyl)phenyl]carbamoylamino]-N-(2-methylpropyl)acetamide (CID 49280392) is 2-[[2-ethoxy-5-(trifluoromethyl)phenyl]carbamoylamino]-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-[[2-ethoxy-5-(trifluoromethyl)phenyl]carbamoylamino]-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-[[2-ethoxy-5-(trifluoromethyl)phenyl]carbamoylamino]-N-(2-methylpropyl)acetamide is CCOc1ccc(C(F)(F)F)cc1NC(=O)NCC(=O)NCC(C)C.
What is the InChIKey of 2-[[2-ethoxy-5-(trifluoromethyl)phenyl]carbamoylamino]-N-(2-methylpropyl)acetamide?
The InChIKey is IQJCBNYWRYKBPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3N3O3/c1-4-25-13-6-5-11(16(17,18)19)7-12(13)22-15(24)21-9-14(23)20-8-10(2)3/h5-7,10H,4,8-9H2,1-3H3,(H,20,23)(H2,21,22,24).
What are the key properties of 2-[[2-ethoxy-5-(trifluoromethyl)phenyl]carbamoylamino]-N-(2-methylpropyl)acetamide?
2-[[2-ethoxy-5-(trifluoromethyl)phenyl]carbamoylamino]-N-(2-methylpropyl)acetamide has a molecular weight of 361.36 g/mol, XLogP of 3.00, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-ethoxy-5-(trifluoromethyl)phenyl]carbamoylamino]-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 49280392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).