methyl N-[4-[(2-methylpropan-2-yl)oxy]phenyl]carbamate

C12H17NO3 — CID 67274992

IUPACmethyl N-[4-[(2-methylpropan-2-yl)oxy]phenyl]carbamate
SMILESCOC(=O)Nc1ccc(OC(C)(C)C)cc1
InChIInChI=1S/C12H17NO3/c1-12(2,3)16-10-7-5-9(6-8-10)13-11(14)15-4/h5-8H,1-4H3,(H,13,14)
InChIKeyVCDZUXPPHUIOOL-UHFFFAOYSA-N
MW223.27 g/mol
LogP3.04
Rot. Bonds2

About methyl N-[4-[(2-methylpropan-2-yl)oxy]phenyl]carbamate

methyl N-[4-[(2-methylpropan-2-yl)oxy]phenyl]carbamate (PubChem CID 67274992) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is methyl N-[4-[(2-methylpropan-2-yl)oxy]phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-[(2-methylpropan-2-yl)oxy]phenyl]carbamate
PubChem CID67274992
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Namemethyl N-[4-[(2-methylpropan-2-yl)oxy]phenyl]carbamate
SMILESCOC(=O)Nc1ccc(OC(C)(C)C)cc1
InChIInChI=1S/C12H17NO3/c1-12(2,3)16-10-7-5-9(6-8-10)13-11(14)15-4/h5-8H,1-4H3,(H,13,14)
InChIKeyVCDZUXPPHUIOOL-UHFFFAOYSA-N
XLogP3.04
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanamide;hydrochloride
CID 119305650
3-chloro-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanamide
CID 110480815
3-(methylamino)-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanamide
CID 98784394
2-ethyl-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]butanamide
CID 110481366
2-(methylamino)-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]acetamide;hydrochloride
CID 119752817
[4-(methoxycarbonylamino)phenoxy]boronic acid
CID 142779925
methyl N-[4-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]phenyl]carbamate
CID 115949974
N-[4-[(2-methylpropan-2-yl)oxy]phenyl]-2-phenylacetamide
CID 21043279
4-[[4-[(2-methylpropan-2-yl)oxy]benzoyl]amino]benzamide
CID 110761803
tert-butyl N-[4-(2-methoxyethoxy)phenyl]carbamate
CID 17340467
methyl 4-[[2-[4-[(2-methylpropan-2-yl)oxy]phenyl]acetyl]amino]benzoate
CID 110437454
methyl N-[4-(2-methoxyethoxy)phenyl]carbamate
CID 110777023

Frequently Asked Questions

What is the IUPAC name of methyl N-[4-[(2-methylpropan-2-yl)oxy]phenyl]carbamate?
The IUPAC name of methyl N-[4-[(2-methylpropan-2-yl)oxy]phenyl]carbamate (CID 67274992) is methyl N-[4-[(2-methylpropan-2-yl)oxy]phenyl]carbamate.
What is the SMILES notation for methyl N-[4-[(2-methylpropan-2-yl)oxy]phenyl]carbamate?
The canonical SMILES for methyl N-[4-[(2-methylpropan-2-yl)oxy]phenyl]carbamate is COC(=O)Nc1ccc(OC(C)(C)C)cc1.
What is the InChIKey of methyl N-[4-[(2-methylpropan-2-yl)oxy]phenyl]carbamate?
The InChIKey is VCDZUXPPHUIOOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-12(2,3)16-10-7-5-9(6-8-10)13-11(14)15-4/h5-8H,1-4H3,(H,13,14).
What are the key properties of methyl N-[4-[(2-methylpropan-2-yl)oxy]phenyl]carbamate?
methyl N-[4-[(2-methylpropan-2-yl)oxy]phenyl]carbamate has a molecular weight of 223.27 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-[(2-methylpropan-2-yl)oxy]phenyl]carbamate is sourced from PubChem (CID 67274992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).