tert-butyl N-[3-oxo-3-[3-[[2-(trifluoromethyl)benzoyl]amino]propylamino]propyl]carbamate

C19H26F3N3O4 — CID 108921622

IUPACtert-butyl N-[3-oxo-3-[3-[[2-(trifluoromethyl)benzoyl]amino]propylamino]propyl]carbamate
SMILESCC(C)(C)OC(=O)NCCC(=O)NCCCNC(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C19H26F3N3O4/c1-18(2,3)29-17(28)25-12-9-15(26)23-10-6-11-24-16(27)13-7-4-5-8-14(13)19(20,21)22/h4-5,7-8H,6,9-12H2,1-3H3,(H,23,26)(H,24,27)(H,25,28)
InChIKeyUXMNTMHPAAJPNK-UHFFFAOYSA-N
MW417.43 g/mol
LogP2.86
Rot. Bonds8

About tert-butyl N-[3-oxo-3-[3-[[2-(trifluoromethyl)benzoyl]amino]propylamino]propyl]carbamate

tert-butyl N-[3-oxo-3-[3-[[2-(trifluoromethyl)benzoyl]amino]propylamino]propyl]carbamate (PubChem CID 108921622) has the molecular formula C19H26F3N3O4 and a molecular weight of 417.43 g/mol. Its IUPAC name is tert-butyl N-[3-oxo-3-[3-[[2-(trifluoromethyl)benzoyl]amino]propylamino]propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-oxo-3-[3-[[2-(trifluoromethyl)benzoyl]amino]propylamino]propyl]carbamate
PubChem CID108921622
Molecular FormulaC19H26F3N3O4
Molecular Weight417.43 g/mol
Exact Mass417.19
IUPAC Nametert-butyl N-[3-oxo-3-[3-[[2-(trifluoromethyl)benzoyl]amino]propylamino]propyl]carbamate
SMILESCC(C)(C)OC(=O)NCCC(=O)NCCCNC(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C19H26F3N3O4/c1-18(2,3)29-17(28)25-12-9-15(26)23-10-6-11-24-16(27)13-7-4-5-8-14(13)19(20,21)22/h4-5,7-8H,6,9-12H2,1-3H3,(H,23,26)(H,24,27)(H,25,28)
InChIKeyUXMNTMHPAAJPNK-UHFFFAOYSA-N
XLogP2.86
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.43
LogP ≤ 52.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze tert-butyl N-[3-oxo-3-[3-[[2-(trifluoromethyl)benzoyl]amino]propylamino]propyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[2-oxo-2-[3-[[2-(trifluoromethyl)benzoyl]amino]propylamino]ethyl]carbamate
CID 108918760
tert-butyl N-[3-oxo-3-[3-[(2-sulfanylbenzoyl)amino]propylamino]propyl]carbamate
CID 108921617
tert-butyl N-[3-(3-benzamidopropylamino)-3-oxopropyl]carbamate
CID 108921630
tert-butyl N-[3-[2-[(2-bromobenzoyl)amino]ethylamino]-3-oxopropyl]carbamate
CID 108537195
tert-butyl N-[3-[3-[[2-(2-methylphenyl)acetyl]amino]propylamino]-3-oxopropyl]carbamate
CID 108921667
tert-butyl N-[3-oxo-3-[3-(pyridine-2-carbonylamino)propylamino]propyl]carbamate
CID 108921655
tert-butyl N-[3-[3-[(4-tert-butylbenzoyl)amino]propylamino]-3-oxopropyl]carbamate
CID 108921611
tert-butyl N-[4-[(2-sulfanylbenzoyl)amino]butyl]carbamate
CID 170912768
tert-butyl N-[3-oxo-3-[4-[[[2-(trifluoromethyl)benzoyl]amino]methyl]piperidin-1-yl]propyl]carbamate
CID 108919362
tert-butyl N-[3-[3-[(4-methylbenzoyl)amino]propylamino]-3-oxopropyl]carbamate
CID 108921542
ethyl N-[2-[[2-(trifluoromethyl)benzoyl]amino]ethyl]carbamate
CID 108573656
N-hexadecyl-2-(trifluoromethyl)benzamide
CID 91726412

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-oxo-3-[3-[[2-(trifluoromethyl)benzoyl]amino]propylamino]propyl]carbamate?
The IUPAC name of tert-butyl N-[3-oxo-3-[3-[[2-(trifluoromethyl)benzoyl]amino]propylamino]propyl]carbamate (CID 108921622) is tert-butyl N-[3-oxo-3-[3-[[2-(trifluoromethyl)benzoyl]amino]propylamino]propyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-oxo-3-[3-[[2-(trifluoromethyl)benzoyl]amino]propylamino]propyl]carbamate?
The canonical SMILES for tert-butyl N-[3-oxo-3-[3-[[2-(trifluoromethyl)benzoyl]amino]propylamino]propyl]carbamate is CC(C)(C)OC(=O)NCCC(=O)NCCCNC(=O)c1ccccc1C(F)(F)F.
What is the InChIKey of tert-butyl N-[3-oxo-3-[3-[[2-(trifluoromethyl)benzoyl]amino]propylamino]propyl]carbamate?
The InChIKey is UXMNTMHPAAJPNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26F3N3O4/c1-18(2,3)29-17(28)25-12-9-15(26)23-10-6-11-24-16(27)13-7-4-5-8-14(13)19(20,21)22/h4-5,7-8H,6,9-12H2,1-3H3,(H,23,26)(H,24,27)(H,25,28).
What are the key properties of tert-butyl N-[3-oxo-3-[3-[[2-(trifluoromethyl)benzoyl]amino]propylamino]propyl]carbamate?
tert-butyl N-[3-oxo-3-[3-[[2-(trifluoromethyl)benzoyl]amino]propylamino]propyl]carbamate has a molecular weight of 417.43 g/mol, XLogP of 2.86, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-oxo-3-[3-[[2-(trifluoromethyl)benzoyl]amino]propylamino]propyl]carbamate is sourced from PubChem (CID 108921622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).