tert-butyl N-[[(4R)-7-(5-fluoro-2-methylphenyl)-3,4-dihydro-2H-chromen-4-yl]methyl]carbamate

C22H26FNO3 — CID 118597927

IUPACtert-butyl N-[[(4R)-7-(5-fluoro-2-methylphenyl)-3,4-dihydro-2H-chromen-4-yl]methyl]carbamate
SMILESCc1ccc(F)cc1-c1ccc2c(c1)OCC[C@H]2CNC(=O)OC(C)(C)C
InChIInChI=1S/C22H26FNO3/c1-14-5-7-17(23)12-19(14)15-6-8-18-16(9-10-26-20(18)11-15)13-24-21(25)27-22(2,3)4/h5-8,11-12,16H,9-10,13H2,1-4H3,(H,24,25)/t16-/m0/s1
InChIKeyWMVBOHXRKYZFQB-INIZCTEOSA-N
MW371.45 g/mol
LogP5.19
Rot. Bonds3

About tert-butyl N-[[(4R)-7-(5-fluoro-2-methylphenyl)-3,4-dihydro-2H-chromen-4-yl]methyl]carbamate

tert-butyl N-[[(4R)-7-(5-fluoro-2-methylphenyl)-3,4-dihydro-2H-chromen-4-yl]methyl]carbamate (PubChem CID 118597927) has the molecular formula C22H26FNO3 and a molecular weight of 371.45 g/mol. Its IUPAC name is tert-butyl N-[[(4R)-7-(5-fluoro-2-methylphenyl)-3,4-dihydro-2H-chromen-4-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[(4R)-7-(5-fluoro-2-methylphenyl)-3,4-dihydro-2H-chromen-4-yl]methyl]carbamate
PubChem CID118597927
Molecular FormulaC22H26FNO3
Molecular Weight371.45 g/mol
Exact Mass371.19
IUPAC Nametert-butyl N-[[(4R)-7-(5-fluoro-2-methylphenyl)-3,4-dihydro-2H-chromen-4-yl]methyl]carbamate
SMILESCc1ccc(F)cc1-c1ccc2c(c1)OCC[C@H]2CNC(=O)OC(C)(C)C
InChIInChI=1S/C22H26FNO3/c1-14-5-7-17(23)12-19(14)15-6-8-18-16(9-10-26-20(18)11-15)13-24-21(25)27-22(2,3)4/h5-8,11-12,16H,9-10,13H2,1-4H3,(H,24,25)/t16-/m0/s1
InChIKeyWMVBOHXRKYZFQB-INIZCTEOSA-N
XLogP5.19
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.45
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-[[(4R)-7-(5-fluoro-2-methylphenyl)-3,4-dihydro-2H-chromen-4-yl]methyl]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

N-[2-(2,3-Dihydro-1H-benzo[f]chromen-10-yl)-ethyl]-acetamide
CID 15340633
4-{3-[(3-Fluorophenyl)methoxy]-2-methylphenyl}piperidine
CID 25263313
4-{3-[(3,4-Difluorophenyl)methoxy]-2-methylphenyl}piperidine
CID 25263317
4-{3-[(1S)-1-(3-fluorophenyl)ethoxy]-2-methylphenyl}piperidine
CID 25263320
4-{3-[(1R)-1-(3-fluorophenyl)ethoxy]-2-methylphenyl}piperidine
CID 25263321
N-[2-(2,3,7,8,9,10-Hexahydro-1H-benzo[f]chromen-10-yl)-ethyl]-acetamide
CID 10038961
[3-[2-fluoro-4-(2-hydroxy-1-methyl-ethyl)phenyl]phenyl]N-hexylcarbamate
CID 73054809
2-Methylpropyl 9h-xanthen-9-ylcarbamate
CID 233009
[3-(2-fluoro-4-methylphenyl)phenyl] N-hexylcarbamate
CID 127033540
(2-methyl-5-propan-2-ylphenyl) N-(cyclohexylmethyl)carbamate
CID 134143173
[(2R)-2,5,7,8-tetramethyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-3,4-dihydrochromen-6-yl] N-benzylcarbamate
CID 46230278
[(2R)-2,7,8-trimethyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]-3,4-dihydrochromen-6-yl] N-benzylcarbamate
CID 46230322

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[(4R)-7-(5-fluoro-2-methylphenyl)-3,4-dihydro-2H-chromen-4-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[(4R)-7-(5-fluoro-2-methylphenyl)-3,4-dihydro-2H-chromen-4-yl]methyl]carbamate (CID 118597927) is tert-butyl N-[[(4R)-7-(5-fluoro-2-methylphenyl)-3,4-dihydro-2H-chromen-4-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[(4R)-7-(5-fluoro-2-methylphenyl)-3,4-dihydro-2H-chromen-4-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[(4R)-7-(5-fluoro-2-methylphenyl)-3,4-dihydro-2H-chromen-4-yl]methyl]carbamate is Cc1ccc(F)cc1-c1ccc2c(c1)OCC[C@H]2CNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[[(4R)-7-(5-fluoro-2-methylphenyl)-3,4-dihydro-2H-chromen-4-yl]methyl]carbamate?
The InChIKey is WMVBOHXRKYZFQB-INIZCTEOSA-N. The full InChI is InChI=1S/C22H26FNO3/c1-14-5-7-17(23)12-19(14)15-6-8-18-16(9-10-26-20(18)11-15)13-24-21(25)27-22(2,3)4/h5-8,11-12,16H,9-10,13H2,1-4H3,(H,24,25)/t16-/m0/s1.
What are the key properties of tert-butyl N-[[(4R)-7-(5-fluoro-2-methylphenyl)-3,4-dihydro-2H-chromen-4-yl]methyl]carbamate?
tert-butyl N-[[(4R)-7-(5-fluoro-2-methylphenyl)-3,4-dihydro-2H-chromen-4-yl]methyl]carbamate has a molecular weight of 371.45 g/mol, XLogP of 5.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[(4R)-7-(5-fluoro-2-methylphenyl)-3,4-dihydro-2H-chromen-4-yl]methyl]carbamate is sourced from PubChem (CID 118597927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).