4-amino-N-[1-amino-1-oxo-2-[3-(trifluoromethyl)phenyl]propan-2-yl]butanamide

C14H18F3N3O2 — CID 119338802

IUPAC4-amino-N-[1-amino-1-oxo-2-[3-(trifluoromethyl)phenyl]propan-2-yl]butanamide
SMILESCC(NC(=O)CCCN)(C(N)=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H18F3N3O2/c1-13(12(19)22,20-11(21)6-3-7-18)9-4-2-5-10(8-9)14(15,16)17/h2,4-5,8H,3,6-7,18H2,1H3,(H2,19,22)(H,20,21)
InChIKeyFJWFOMPUHKHAMV-UHFFFAOYSA-N
MW317.31 g/mol
LogP1.26
Rot. Bonds6

About 4-amino-N-[1-amino-1-oxo-2-[3-(trifluoromethyl)phenyl]propan-2-yl]butanamide

4-amino-N-[1-amino-1-oxo-2-[3-(trifluoromethyl)phenyl]propan-2-yl]butanamide (PubChem CID 119338802) has the molecular formula C14H18F3N3O2 and a molecular weight of 317.31 g/mol. Its IUPAC name is 4-amino-N-[1-amino-1-oxo-2-[3-(trifluoromethyl)phenyl]propan-2-yl]butanamide.

Molecular Properties

Compound Name4-amino-N-[1-amino-1-oxo-2-[3-(trifluoromethyl)phenyl]propan-2-yl]butanamide
PubChem CID119338802
Molecular FormulaC14H18F3N3O2
Molecular Weight317.31 g/mol
Exact Mass317.14
IUPAC Name4-amino-N-[1-amino-1-oxo-2-[3-(trifluoromethyl)phenyl]propan-2-yl]butanamide
SMILESCC(NC(=O)CCCN)(C(N)=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H18F3N3O2/c1-13(12(19)22,20-11(21)6-3-7-18)9-4-2-5-10(8-9)14(15,16)17/h2,4-5,8H,3,6-7,18H2,1H3,(H2,19,22)(H,20,21)
InChIKeyFJWFOMPUHKHAMV-UHFFFAOYSA-N
XLogP1.26
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.31
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-aminoacetyl)amino]-2-[3-(trifluoromethyl)phenyl]propanamide
CID 119338792
(2S)-2-[(2-methylsulfanylacetyl)amino]-2-[3-(trifluoromethyl)phenyl]propanamide
CID 96528918
2-(3-pyrimidin-5-ylpropanoylamino)-2-[3-(trifluoromethyl)phenyl]propanamide
CID 167951535
2-(propylamino)-2-[3-(trifluoromethyl)phenyl]propanamide
CID 60796923
2-(2-methoxypropanoylamino)-2-[3-(trifluoromethyl)phenyl]propanamide
CID 71977559
N-[1-amino-2-(3-chlorophenyl)-1-oxopropan-2-yl]-4-(methylamino)butanamide
CID 119810304
N-[1-amino-1-oxo-2-[3-(trifluoromethyl)phenyl]propan-2-yl]pyridine-2-carboxamide
CID 71977558
4-amino-N-[1-amino-2-(3-chlorophenyl)-1-oxopropan-2-yl]pentanamide
CID 120563651
2-[[2-(2-methyl-4-nitroimidazol-1-yl)acetyl]amino]-2-[3-(trifluoromethyl)phenyl]propanamide
CID 146090656
4-amino-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide
CID 119297081
4-amino-N-[2-(butylamino)-5-(trifluoromethyl)phenyl]butanamide
CID 119290972
4-amino-N-[2-(3,4-difluorophenyl)propan-2-yl]butanamide
CID 119338113

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[1-amino-1-oxo-2-[3-(trifluoromethyl)phenyl]propan-2-yl]butanamide?
The IUPAC name of 4-amino-N-[1-amino-1-oxo-2-[3-(trifluoromethyl)phenyl]propan-2-yl]butanamide (CID 119338802) is 4-amino-N-[1-amino-1-oxo-2-[3-(trifluoromethyl)phenyl]propan-2-yl]butanamide.
What is the SMILES notation for 4-amino-N-[1-amino-1-oxo-2-[3-(trifluoromethyl)phenyl]propan-2-yl]butanamide?
The canonical SMILES for 4-amino-N-[1-amino-1-oxo-2-[3-(trifluoromethyl)phenyl]propan-2-yl]butanamide is CC(NC(=O)CCCN)(C(N)=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 4-amino-N-[1-amino-1-oxo-2-[3-(trifluoromethyl)phenyl]propan-2-yl]butanamide?
The InChIKey is FJWFOMPUHKHAMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N3O2/c1-13(12(19)22,20-11(21)6-3-7-18)9-4-2-5-10(8-9)14(15,16)17/h2,4-5,8H,3,6-7,18H2,1H3,(H2,19,22)(H,20,21).
What are the key properties of 4-amino-N-[1-amino-1-oxo-2-[3-(trifluoromethyl)phenyl]propan-2-yl]butanamide?
4-amino-N-[1-amino-1-oxo-2-[3-(trifluoromethyl)phenyl]propan-2-yl]butanamide has a molecular weight of 317.31 g/mol, XLogP of 1.26, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[1-amino-1-oxo-2-[3-(trifluoromethyl)phenyl]propan-2-yl]butanamide is sourced from PubChem (CID 119338802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).