2-(carbamoylamino)-3-methyl-N-[4-(trifluoromethoxy)phenyl]pentanamide

C14H18F3N3O3 — CID 3924237

IUPAC2-(carbamoylamino)-3-methyl-N-[4-(trifluoromethoxy)phenyl]pentanamide
SMILESCCC(C)C(NC(N)=O)C(=O)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C14H18F3N3O3/c1-3-8(2)11(20-13(18)22)12(21)19-9-4-6-10(7-5-9)23-14(15,16)17/h4-8,11H,3H2,1-2H3,(H,19,21)(H3,18,20,22)
InChIKeyTUVZDGPSKZEWBT-UHFFFAOYSA-N
MW333.31 g/mol
LogP2.61
Rot. Bonds6

About 2-(carbamoylamino)-3-methyl-N-[4-(trifluoromethoxy)phenyl]pentanamide

2-(carbamoylamino)-3-methyl-N-[4-(trifluoromethoxy)phenyl]pentanamide (PubChem CID 3924237) has the molecular formula C14H18F3N3O3 and a molecular weight of 333.31 g/mol. Its IUPAC name is 2-(carbamoylamino)-3-methyl-N-[4-(trifluoromethoxy)phenyl]pentanamide.

Molecular Properties

Compound Name2-(carbamoylamino)-3-methyl-N-[4-(trifluoromethoxy)phenyl]pentanamide
PubChem CID3924237
Molecular FormulaC14H18F3N3O3
Molecular Weight333.31 g/mol
Exact Mass333.13
IUPAC Name2-(carbamoylamino)-3-methyl-N-[4-(trifluoromethoxy)phenyl]pentanamide
SMILESCCC(C)C(NC(N)=O)C(=O)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C14H18F3N3O3/c1-3-8(2)11(20-13(18)22)12(21)19-9-4-6-10(7-5-9)23-14(15,16)17/h4-8,11H,3H2,1-2H3,(H,19,21)(H3,18,20,22)
InChIKeyTUVZDGPSKZEWBT-UHFFFAOYSA-N
XLogP2.61
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.31
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3R)-N-(4-acetamidophenyl)-2-(carbamoylamino)-3-methylpentanamide
CID 2093787
(2S)-2-amino-3-methyl-N-[4-(trifluoromethoxy)phenyl]pentanamide
CID 61172450
2-(carbamoylamino)-3-methyl-N-(4-propan-2-ylphenyl)pentanamide
CID 42908939
4-[[2-(carbamoylamino)-3-methylpentanoyl]amino]benzamide
CID 24640883
methyl (2R,3S)-3-methyl-2-[[4-(trifluoromethoxy)phenyl]carbamoylamino]pentanoate
CID 7641170
2-(carbamoylamino)-N-[4-(hydroxymethyl)phenyl]-3-methylpentanamide
CID 64792800
2-(carbamoylamino)-3-methyl-N-(4-phenylphenyl)pentanamide
CID 4785458
2-(carbamoylamino)-N-[4-(2-hydroxyethyl)phenyl]-3-methylpentanamide
CID 61221427
2-(carbamoylamino)-3-methyl-N-[4-(propan-2-ylsulfamoyl)phenyl]pentanamide
CID 4780829
(2S,3R)-2-(carbamoylamino)-3-methyl-N-[4-(propan-2-ylsulfamoyl)phenyl]pentanamide
CID 2569295
[4-(trifluoromethoxy)phenyl]urea
CID 2779224
(2S)-2-chloro-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 2304863

Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-3-methyl-N-[4-(trifluoromethoxy)phenyl]pentanamide?
The IUPAC name of 2-(carbamoylamino)-3-methyl-N-[4-(trifluoromethoxy)phenyl]pentanamide (CID 3924237) is 2-(carbamoylamino)-3-methyl-N-[4-(trifluoromethoxy)phenyl]pentanamide.
What is the SMILES notation for 2-(carbamoylamino)-3-methyl-N-[4-(trifluoromethoxy)phenyl]pentanamide?
The canonical SMILES for 2-(carbamoylamino)-3-methyl-N-[4-(trifluoromethoxy)phenyl]pentanamide is CCC(C)C(NC(N)=O)C(=O)Nc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 2-(carbamoylamino)-3-methyl-N-[4-(trifluoromethoxy)phenyl]pentanamide?
The InChIKey is TUVZDGPSKZEWBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N3O3/c1-3-8(2)11(20-13(18)22)12(21)19-9-4-6-10(7-5-9)23-14(15,16)17/h4-8,11H,3H2,1-2H3,(H,19,21)(H3,18,20,22).
What are the key properties of 2-(carbamoylamino)-3-methyl-N-[4-(trifluoromethoxy)phenyl]pentanamide?
2-(carbamoylamino)-3-methyl-N-[4-(trifluoromethoxy)phenyl]pentanamide has a molecular weight of 333.31 g/mol, XLogP of 2.61, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-3-methyl-N-[4-(trifluoromethoxy)phenyl]pentanamide is sourced from PubChem (CID 3924237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).