[2-(dibenzylamino)-3-fluoropropyl] N-tert-butylcarbamate

C22H29FN2O2 — CID 135206134

IUPAC[2-(dibenzylamino)-3-fluoropropyl] N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)OCC(CF)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C22H29FN2O2/c1-22(2,3)24-21(26)27-17-20(14-23)25(15-18-10-6-4-7-11-18)16-19-12-8-5-9-13-19/h4-13,20H,14-17H2,1-3H3,(H,24,26)
InChIKeyGBNANBCGMTYDFR-UHFFFAOYSA-N
MW372.48 g/mol
LogP4.55
Rot. Bonds8

About [2-(dibenzylamino)-3-fluoropropyl] N-tert-butylcarbamate

[2-(dibenzylamino)-3-fluoropropyl] N-tert-butylcarbamate (PubChem CID 135206134) has the molecular formula C22H29FN2O2 and a molecular weight of 372.48 g/mol. Its IUPAC name is [2-(dibenzylamino)-3-fluoropropyl] N-tert-butylcarbamate.

Molecular Properties

Compound Name[2-(dibenzylamino)-3-fluoropropyl] N-tert-butylcarbamate
PubChem CID135206134
Molecular FormulaC22H29FN2O2
Molecular Weight372.48 g/mol
Exact Mass372.22
IUPAC Name[2-(dibenzylamino)-3-fluoropropyl] N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)OCC(CF)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C22H29FN2O2/c1-22(2,3)24-21(26)27-17-20(14-23)25(15-18-10-6-4-7-11-18)16-19-12-8-5-9-13-19/h4-13,20H,14-17H2,1-3H3,(H,24,26)
InChIKeyGBNANBCGMTYDFR-UHFFFAOYSA-N
XLogP4.55
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.48
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-benzyl-N-tert-butyl-N'-propan-2-yloxamide
CID 108503369
2-(2-phenylmethoxyethoxy)propyl N-tert-butylcarbamate
CID 90840160
2,2-difluoroethyl N-tert-butylcarbamate
CID 174785314
benzyl N-(5-fluoro-2-methylpentan-2-yl)carbamate
CID 126639455
3-[benzyl-[(1R)-1,2-dihydroxy-1-phenylethyl]amino]propyl N-tert-butylcarbamate
CID 142106690
2-(3-phenylmethoxypropoxy)ethyl N-tert-butylcarbamate
CID 91455636
2,2-dimethyl-N-[2,2,2-trichloro-1-(dibenzylamino)ethyl]propanamide
CID 2829847
1-(2-aminoethyl)-1-benzyl-3-tert-butylurea
CID 61014681
ethyl N-[benzyl(tert-butyl)amino]carbamate
CID 142916028
[(2R)-1-hydroxy-3-phenylmethoxypropan-2-yl] N-tert-butylcarbamate
CID 175101477
benzyl N-[(2S)-1-(tert-butylamino)-1-oxo-3-phenylpropan-2-yl]carbamate
CID 11068208
methyl N-[(2S)-2-(dibenzylamino)propyl]carbamate
CID 10913976

Frequently Asked Questions

What is the IUPAC name of [2-(dibenzylamino)-3-fluoropropyl] N-tert-butylcarbamate?
The IUPAC name of [2-(dibenzylamino)-3-fluoropropyl] N-tert-butylcarbamate (CID 135206134) is [2-(dibenzylamino)-3-fluoropropyl] N-tert-butylcarbamate.
What is the SMILES notation for [2-(dibenzylamino)-3-fluoropropyl] N-tert-butylcarbamate?
The canonical SMILES for [2-(dibenzylamino)-3-fluoropropyl] N-tert-butylcarbamate is CC(C)(C)NC(=O)OCC(CF)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of [2-(dibenzylamino)-3-fluoropropyl] N-tert-butylcarbamate?
The InChIKey is GBNANBCGMTYDFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29FN2O2/c1-22(2,3)24-21(26)27-17-20(14-23)25(15-18-10-6-4-7-11-18)16-19-12-8-5-9-13-19/h4-13,20H,14-17H2,1-3H3,(H,24,26).
What are the key properties of [2-(dibenzylamino)-3-fluoropropyl] N-tert-butylcarbamate?
[2-(dibenzylamino)-3-fluoropropyl] N-tert-butylcarbamate has a molecular weight of 372.48 g/mol, XLogP of 4.55, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(dibenzylamino)-3-fluoropropyl] N-tert-butylcarbamate is sourced from PubChem (CID 135206134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).