4-methyl-N-propyl-2-[[4-(trifluoromethyl)phenyl]carbamoylamino]pentanamide

C17H24F3N3O2 — CID 135314709

IUPAC4-methyl-N-propyl-2-[[4-(trifluoromethyl)phenyl]carbamoylamino]pentanamide
SMILESCCCNC(=O)C(CC(C)C)NC(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H24F3N3O2/c1-4-9-21-15(24)14(10-11(2)3)23-16(25)22-13-7-5-12(6-8-13)17(18,19)20/h5-8,11,14H,4,9-10H2,1-3H3,(H,21,24)(H2,22,23,25)
InChIKeyUASVMIIJLOBLBW-UHFFFAOYSA-N
MW359.39 g/mol
LogP3.77
Rot. Bonds7

About 4-methyl-N-propyl-2-[[4-(trifluoromethyl)phenyl]carbamoylamino]pentanamide

4-methyl-N-propyl-2-[[4-(trifluoromethyl)phenyl]carbamoylamino]pentanamide (PubChem CID 135314709) has the molecular formula C17H24F3N3O2 and a molecular weight of 359.39 g/mol. Its IUPAC name is 4-methyl-N-propyl-2-[[4-(trifluoromethyl)phenyl]carbamoylamino]pentanamide.

Molecular Properties

Compound Name4-methyl-N-propyl-2-[[4-(trifluoromethyl)phenyl]carbamoylamino]pentanamide
PubChem CID135314709
Molecular FormulaC17H24F3N3O2
Molecular Weight359.39 g/mol
Exact Mass359.18
IUPAC Name4-methyl-N-propyl-2-[[4-(trifluoromethyl)phenyl]carbamoylamino]pentanamide
SMILESCCCNC(=O)C(CC(C)C)NC(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H24F3N3O2/c1-4-9-21-15(24)14(10-11(2)3)23-16(25)22-13-7-5-12(6-8-13)17(18,19)20/h5-8,11,14H,4,9-10H2,1-3H3,(H,21,24)(H2,22,23,25)
InChIKeyUASVMIIJLOBLBW-UHFFFAOYSA-N
XLogP3.77
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 53.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-4-methyl-2-[[4-(trifluoromethyl)phenyl]carbamoylamino]pentanoic acid
CID 71569670
tert-butyl 2-[[4-methyl-2-[[4-(trifluoromethyl)phenyl]carbamoylamino]pentanoyl]amino]acetate
CID 78098380
[2-methyl-1-[[(2S)-4-methyl-2-[[4-(trifluoromethyl)phenyl]carbamoylamino]pentanoyl]amino]propan-2-yl] acetate
CID 174733609
2-methyl-2-[[4-methyl-2-[[4-(trifluoromethyl)phenyl]carbamoylamino]pentanoyl]amino]propanoic acid
CID 78098301
2,4,4-trimethyl-2-[[(2S)-4-methyl-2-[[4-(trifluoromethyl)phenyl]carbamoylamino]pentanoyl]amino]pentanoic acid
CID 118093227
2-[[4-methyl-2-[[4-(trifluoromethyl)phenyl]carbamoylamino]pentanoyl]-propylamino]acetic acid
CID 123182270
(4S)-6-methyl-3-oxo-4-[[4-(trifluoromethyl)phenyl]carbamoylamino]heptane-1-sulfonic acid
CID 158849703
2-[[4-(trifluoromethyl)phenyl]carbamoylamino]butanoic acid
CID 61181255
1-(3-oxopentan-2-yl)-3-[4-(trifluoromethyl)phenyl]urea
CID 64994242
1-[(2S)-1-hydroxypropan-2-yl]-3-[4-(trifluoromethyl)phenyl]urea
CID 51983515
methyl 3-hydroxy-2-[[4-(trifluoromethyl)phenyl]carbamoylamino]propanoate
CID 61315744
(2R)-4-methyl-2-[[(2R)-4-methyl-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]pentanoyl]amino]pentanoic acid
CID 27209117

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-propyl-2-[[4-(trifluoromethyl)phenyl]carbamoylamino]pentanamide?
The IUPAC name of 4-methyl-N-propyl-2-[[4-(trifluoromethyl)phenyl]carbamoylamino]pentanamide (CID 135314709) is 4-methyl-N-propyl-2-[[4-(trifluoromethyl)phenyl]carbamoylamino]pentanamide.
What is the SMILES notation for 4-methyl-N-propyl-2-[[4-(trifluoromethyl)phenyl]carbamoylamino]pentanamide?
The canonical SMILES for 4-methyl-N-propyl-2-[[4-(trifluoromethyl)phenyl]carbamoylamino]pentanamide is CCCNC(=O)C(CC(C)C)NC(=O)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 4-methyl-N-propyl-2-[[4-(trifluoromethyl)phenyl]carbamoylamino]pentanamide?
The InChIKey is UASVMIIJLOBLBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F3N3O2/c1-4-9-21-15(24)14(10-11(2)3)23-16(25)22-13-7-5-12(6-8-13)17(18,19)20/h5-8,11,14H,4,9-10H2,1-3H3,(H,21,24)(H2,22,23,25).
What are the key properties of 4-methyl-N-propyl-2-[[4-(trifluoromethyl)phenyl]carbamoylamino]pentanamide?
4-methyl-N-propyl-2-[[4-(trifluoromethyl)phenyl]carbamoylamino]pentanamide has a molecular weight of 359.39 g/mol, XLogP of 3.77, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-propyl-2-[[4-(trifluoromethyl)phenyl]carbamoylamino]pentanamide is sourced from PubChem (CID 135314709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).