tert-butyl N-[2-cyclopropyl-2-[(2-fluorophenyl)methyl]-3-hydroxypropyl]carbamate

C18H26FNO3 — CID 106506656

IUPACtert-butyl N-[2-cyclopropyl-2-[(2-fluorophenyl)methyl]-3-hydroxypropyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(CO)(Cc1ccccc1F)C1CC1
InChIInChI=1S/C18H26FNO3/c1-17(2,3)23-16(22)20-11-18(12-21,14-8-9-14)10-13-6-4-5-7-15(13)19/h4-7,14,21H,8-12H2,1-3H3,(H,20,22)
InChIKeyIDHCVIMYENCIAU-UHFFFAOYSA-N
MW323.41 g/mol
LogP3.28
Rot. Bonds6

About tert-butyl N-[2-cyclopropyl-2-[(2-fluorophenyl)methyl]-3-hydroxypropyl]carbamate

tert-butyl N-[2-cyclopropyl-2-[(2-fluorophenyl)methyl]-3-hydroxypropyl]carbamate (PubChem CID 106506656) has the molecular formula C18H26FNO3 and a molecular weight of 323.41 g/mol. Its IUPAC name is tert-butyl N-[2-cyclopropyl-2-[(2-fluorophenyl)methyl]-3-hydroxypropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-cyclopropyl-2-[(2-fluorophenyl)methyl]-3-hydroxypropyl]carbamate
PubChem CID106506656
Molecular FormulaC18H26FNO3
Molecular Weight323.41 g/mol
Exact Mass323.19
IUPAC Nametert-butyl N-[2-cyclopropyl-2-[(2-fluorophenyl)methyl]-3-hydroxypropyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(CO)(Cc1ccccc1F)C1CC1
InChIInChI=1S/C18H26FNO3/c1-17(2,3)23-16(22)20-11-18(12-21,14-8-9-14)10-13-6-4-5-7-15(13)19/h4-7,14,21H,8-12H2,1-3H3,(H,20,22)
InChIKeyIDHCVIMYENCIAU-UHFFFAOYSA-N
XLogP3.28
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.41
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[2-[(2-fluorophenyl)methyl]-2-methyl-3-oxopropyl]carbamate
CID 84730984
tert-butyl N-[2-cyclopropyl-2-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-hydroxypropyl]carbamate
CID 106506719
tert-butyl N-[3-bromo-2-[(2-fluorophenyl)methoxy]-2-methylpropyl]carbamate
CID 104969698
tert-butyl N-[2-cyclopropyl-4-ethylsulfonyl-2-(hydroxymethyl)butyl]carbamate
CID 106730790
2-cyclopropyl-2-(2-methylphenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 106509187
tert-butyl N-[2-[3-[[2-(2-fluorophenyl)acetyl]amino]propylamino]-2-oxoethyl]carbamate
CID 108918808
tert-butyl N-[2-[(2-fluorophenyl)methylamino]cyclopentyl]carbamate
CID 104844649
tert-butyl N-[2-cyclopropyl-2-(hydroxymethyl)-4-(3-methylbutoxy)butyl]carbamate
CID 106506709
tert-butyl N-[3-hydroxy-2-methyl-2-(2-methylphenyl)propyl]carbamate
CID 106507429
tert-butyl N-[2-(2-fluorophenyl)-2-(hydroxymethyl)-4-methoxybutyl]carbamate
CID 106507148
tert-butyl N-[4-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]carbamate
CID 84815333
2-chloro-N-[1-(2-fluorophenyl)-2-methylpropan-2-yl]acetamide
CID 82130304

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-cyclopropyl-2-[(2-fluorophenyl)methyl]-3-hydroxypropyl]carbamate?
The IUPAC name of tert-butyl N-[2-cyclopropyl-2-[(2-fluorophenyl)methyl]-3-hydroxypropyl]carbamate (CID 106506656) is tert-butyl N-[2-cyclopropyl-2-[(2-fluorophenyl)methyl]-3-hydroxypropyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-cyclopropyl-2-[(2-fluorophenyl)methyl]-3-hydroxypropyl]carbamate?
The canonical SMILES for tert-butyl N-[2-cyclopropyl-2-[(2-fluorophenyl)methyl]-3-hydroxypropyl]carbamate is CC(C)(C)OC(=O)NCC(CO)(Cc1ccccc1F)C1CC1.
What is the InChIKey of tert-butyl N-[2-cyclopropyl-2-[(2-fluorophenyl)methyl]-3-hydroxypropyl]carbamate?
The InChIKey is IDHCVIMYENCIAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FNO3/c1-17(2,3)23-16(22)20-11-18(12-21,14-8-9-14)10-13-6-4-5-7-15(13)19/h4-7,14,21H,8-12H2,1-3H3,(H,20,22).
What are the key properties of tert-butyl N-[2-cyclopropyl-2-[(2-fluorophenyl)methyl]-3-hydroxypropyl]carbamate?
tert-butyl N-[2-cyclopropyl-2-[(2-fluorophenyl)methyl]-3-hydroxypropyl]carbamate has a molecular weight of 323.41 g/mol, XLogP of 3.28, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-cyclopropyl-2-[(2-fluorophenyl)methyl]-3-hydroxypropyl]carbamate is sourced from PubChem (CID 106506656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).