tert-butyl N-[[2-fluoro-4-[methoxy(methyl)carbamoyl]phenyl]methyl]-N-methylcarbamate

C16H23FN2O4 — CID 58767142

IUPACtert-butyl N-[[2-fluoro-4-[methoxy(methyl)carbamoyl]phenyl]methyl]-N-methylcarbamate
SMILESCON(C)C(=O)c1ccc(CN(C)C(=O)OC(C)(C)C)c(F)c1
InChIInChI=1S/C16H23FN2O4/c1-16(2,3)23-15(21)18(4)10-12-8-7-11(9-13(12)17)14(20)19(5)22-6/h7-9H,10H2,1-6H3
InChIKeyXFTYGICONMCCRO-UHFFFAOYSA-N
MW326.37 g/mol
LogP2.83
Rot. Bonds4

About tert-butyl N-[[2-fluoro-4-[methoxy(methyl)carbamoyl]phenyl]methyl]-N-methylcarbamate

tert-butyl N-[[2-fluoro-4-[methoxy(methyl)carbamoyl]phenyl]methyl]-N-methylcarbamate (PubChem CID 58767142) has the molecular formula C16H23FN2O4 and a molecular weight of 326.37 g/mol. Its IUPAC name is tert-butyl N-[[2-fluoro-4-[methoxy(methyl)carbamoyl]phenyl]methyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[[2-fluoro-4-[methoxy(methyl)carbamoyl]phenyl]methyl]-N-methylcarbamate
PubChem CID58767142
Molecular FormulaC16H23FN2O4
Molecular Weight326.37 g/mol
Exact Mass326.16
IUPAC Nametert-butyl N-[[2-fluoro-4-[methoxy(methyl)carbamoyl]phenyl]methyl]-N-methylcarbamate
SMILESCON(C)C(=O)c1ccc(CN(C)C(=O)OC(C)(C)C)c(F)c1
InChIInChI=1S/C16H23FN2O4/c1-16(2,3)23-15(21)18(4)10-12-8-7-11(9-13(12)17)14(20)19(5)22-6/h7-9H,10H2,1-6H3
InChIKeyXFTYGICONMCCRO-UHFFFAOYSA-N
XLogP2.83
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.37
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[2-fluoro-4-[methoxy(methyl)carbamoyl]phenyl]methyl-methylcarbamic acid
CID 87890157
tert-butyl-[2-[2-fluoro-4-[methoxy(methyl)carbamoyl]phenyl]ethyl]carbamic acid
CID 87909355
2-[2-fluoro-4-[methoxy(methyl)carbamoyl]phenyl]ethylcarbamic acid
CID 87890163
tert-butyl N-ethyl-N-[[4-[methoxy(methyl)carbamoyl]phenyl]methyl]carbamate
CID 87418131
tert-butyl N-[(3-cyano-2-fluorophenyl)methyl]-N-methylcarbamate
CID 83410756
4-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]benzoic acid
CID 22450242
4-[(dimethylamino)methyl]-3-fluorobenzoic acid
CID 63068051
methyl 2-[(2,4-difluorophenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate
CID 177118891
tert-butyl 2-[[2-fluoro-4-[(E)-N'-hydroxycarbamimidoyl]phenyl]methyl-methylamino]-2-methylpropanoate
CID 87091053
tert-butyl N-[[2-(3-chloro-5-fluoro-4-hydroxyphenyl)phenyl]methyl]-N-methylcarbamate
CID 172890587
3-fluoro-4-[[2-methoxyethyl(methyl)amino]methyl]benzoic acid
CID 63072987
tert-butyl N-[(5-amino-2-bromophenyl)methyl]-N-methylcarbamate
CID 59315049

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[2-fluoro-4-[methoxy(methyl)carbamoyl]phenyl]methyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[[2-fluoro-4-[methoxy(methyl)carbamoyl]phenyl]methyl]-N-methylcarbamate (CID 58767142) is tert-butyl N-[[2-fluoro-4-[methoxy(methyl)carbamoyl]phenyl]methyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[[2-fluoro-4-[methoxy(methyl)carbamoyl]phenyl]methyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[[2-fluoro-4-[methoxy(methyl)carbamoyl]phenyl]methyl]-N-methylcarbamate is CON(C)C(=O)c1ccc(CN(C)C(=O)OC(C)(C)C)c(F)c1.
What is the InChIKey of tert-butyl N-[[2-fluoro-4-[methoxy(methyl)carbamoyl]phenyl]methyl]-N-methylcarbamate?
The InChIKey is XFTYGICONMCCRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O4/c1-16(2,3)23-15(21)18(4)10-12-8-7-11(9-13(12)17)14(20)19(5)22-6/h7-9H,10H2,1-6H3.
What are the key properties of tert-butyl N-[[2-fluoro-4-[methoxy(methyl)carbamoyl]phenyl]methyl]-N-methylcarbamate?
tert-butyl N-[[2-fluoro-4-[methoxy(methyl)carbamoyl]phenyl]methyl]-N-methylcarbamate has a molecular weight of 326.37 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[2-fluoro-4-[methoxy(methyl)carbamoyl]phenyl]methyl]-N-methylcarbamate is sourced from PubChem (CID 58767142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).