methyl N-[2-[2-[(2-methylpropan-2-yl)oxy]phenyl]ethyl]carbamate

C14H21NO3 — CID 110477722

IUPACmethyl N-[2-[2-[(2-methylpropan-2-yl)oxy]phenyl]ethyl]carbamate
SMILESCOC(=O)NCCc1ccccc1OC(C)(C)C
InChIInChI=1S/C14H21NO3/c1-14(2,3)18-12-8-6-5-7-11(12)9-10-15-13(16)17-4/h5-8H,9-10H2,1-4H3,(H,15,16)
InChIKeyFMDKMBMTBGVRBR-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.76
Rot. Bonds4

About methyl N-[2-[2-[(2-methylpropan-2-yl)oxy]phenyl]ethyl]carbamate

methyl N-[2-[2-[(2-methylpropan-2-yl)oxy]phenyl]ethyl]carbamate (PubChem CID 110477722) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is methyl N-[2-[2-[(2-methylpropan-2-yl)oxy]phenyl]ethyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-[2-[(2-methylpropan-2-yl)oxy]phenyl]ethyl]carbamate
PubChem CID110477722
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Namemethyl N-[2-[2-[(2-methylpropan-2-yl)oxy]phenyl]ethyl]carbamate
SMILESCOC(=O)NCCc1ccccc1OC(C)(C)C
InChIInChI=1S/C14H21NO3/c1-14(2,3)18-12-8-6-5-7-11(12)9-10-15-13(16)17-4/h5-8H,9-10H2,1-4H3,(H,15,16)
InChIKeyFMDKMBMTBGVRBR-UHFFFAOYSA-N
XLogP2.76
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl N-[2-[2-[(2-methylpropan-2-yl)oxy]phenyl]ethyl]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

[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]phenyl] methanesulfonate
CID 175577390
N-[2-[2-[(2-methylpropan-2-yl)oxy]phenyl]ethyl]formamide
CID 110477125
tert-butyl N-[2-[2-(2-hydroxyethyl)phenyl]ethyl]carbamate
CID 141182923
tert-butyl N-[3-[[N-[2-(2-methoxyphenyl)ethyl]-N'-methylcarbamimidoyl]amino]propyl]carbamate
CID 111338669
N-[2-(2-methoxyphenyl)ethyl]-2,2-dimethylpropanamide
CID 15179102
methyl N-[2-(2-hydroxy-3-methoxyphenyl)ethyl]carbamate
CID 15659643
tert-butyl N-[2-[2-(2-chlorophenyl)ethylcarbamoylamino]ethyl]carbamate
CID 108864598
2,2-dimethyl-N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]propanamide
CID 110444704
ethyl N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]carbamate
CID 110445074
N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-2-phenylacetamide
CID 110442352
tert-butyl N-[(2-methoxyphenyl)methyl]carbamate;hydrochloride
CID 174676513
3-amino-N-[2-(2-methoxyphenyl)ethyl]-2,2,3-trimethylbutanamide
CID 106260825

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-[2-[(2-methylpropan-2-yl)oxy]phenyl]ethyl]carbamate?
The IUPAC name of methyl N-[2-[2-[(2-methylpropan-2-yl)oxy]phenyl]ethyl]carbamate (CID 110477722) is methyl N-[2-[2-[(2-methylpropan-2-yl)oxy]phenyl]ethyl]carbamate.
What is the SMILES notation for methyl N-[2-[2-[(2-methylpropan-2-yl)oxy]phenyl]ethyl]carbamate?
The canonical SMILES for methyl N-[2-[2-[(2-methylpropan-2-yl)oxy]phenyl]ethyl]carbamate is COC(=O)NCCc1ccccc1OC(C)(C)C.
What is the InChIKey of methyl N-[2-[2-[(2-methylpropan-2-yl)oxy]phenyl]ethyl]carbamate?
The InChIKey is FMDKMBMTBGVRBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-14(2,3)18-12-8-6-5-7-11(12)9-10-15-13(16)17-4/h5-8H,9-10H2,1-4H3,(H,15,16).
What are the key properties of methyl N-[2-[2-[(2-methylpropan-2-yl)oxy]phenyl]ethyl]carbamate?
methyl N-[2-[2-[(2-methylpropan-2-yl)oxy]phenyl]ethyl]carbamate has a molecular weight of 251.33 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-[2-[(2-methylpropan-2-yl)oxy]phenyl]ethyl]carbamate is sourced from PubChem (CID 110477722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).