(2-propan-2-yloxyphenyl) N-(2-methylprop-1-enyl)carbamate

C14H19NO3 — CID 71409285

IUPAC(2-propan-2-yloxyphenyl) N-(2-methylprop-1-enyl)carbamate
SMILESCC(C)=CNC(=O)Oc1ccccc1OC(C)C
InChIInChI=1S/C14H19NO3/c1-10(2)9-15-14(16)18-13-8-6-5-7-12(13)17-11(3)4/h5-9,11H,1-4H3,(H,15,16)
InChIKeyMSDLYDRUMHEWRI-UHFFFAOYSA-N
MW249.31 g/mol
LogP3.49
Rot. Bonds4

About (2-propan-2-yloxyphenyl) N-(2-methylprop-1-enyl)carbamate

(2-propan-2-yloxyphenyl) N-(2-methylprop-1-enyl)carbamate (PubChem CID 71409285) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is (2-propan-2-yloxyphenyl) N-(2-methylprop-1-enyl)carbamate.

Molecular Properties

Compound Name(2-propan-2-yloxyphenyl) N-(2-methylprop-1-enyl)carbamate
PubChem CID71409285
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name(2-propan-2-yloxyphenyl) N-(2-methylprop-1-enyl)carbamate
SMILESCC(C)=CNC(=O)Oc1ccccc1OC(C)C
InChIInChI=1S/C14H19NO3/c1-10(2)9-15-14(16)18-13-8-6-5-7-12(13)17-11(3)4/h5-9,11H,1-4H3,(H,15,16)
InChIKeyMSDLYDRUMHEWRI-UHFFFAOYSA-N
XLogP3.49
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 159030551
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N,N'-bis(2-propan-2-yloxyphenyl)oxamide
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(2-propan-2-yloxyphenyl) octanoate
CID 573469
N,N'-bis[(E)-(2-propan-2-yloxyphenyl)methylideneamino]oxamide
CID 5334919
(2-propan-2-yloxyphenyl) N-methyl-N-[(2-methylpropan-2-yl)oxysulfinyl]carbamate
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1-[4-(2-propan-2-yloxyphenoxy)phenyl]ethanone
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[2,3-di(propan-2-yloxy)phenyl] acetate
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(2-methoxyphenyl) N-propan-2-ylcarbamate
CID 2802349

Frequently Asked Questions

What is the IUPAC name of (2-propan-2-yloxyphenyl) N-(2-methylprop-1-enyl)carbamate?
The IUPAC name of (2-propan-2-yloxyphenyl) N-(2-methylprop-1-enyl)carbamate (CID 71409285) is (2-propan-2-yloxyphenyl) N-(2-methylprop-1-enyl)carbamate.
What is the SMILES notation for (2-propan-2-yloxyphenyl) N-(2-methylprop-1-enyl)carbamate?
The canonical SMILES for (2-propan-2-yloxyphenyl) N-(2-methylprop-1-enyl)carbamate is CC(C)=CNC(=O)Oc1ccccc1OC(C)C.
What is the InChIKey of (2-propan-2-yloxyphenyl) N-(2-methylprop-1-enyl)carbamate?
The InChIKey is MSDLYDRUMHEWRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-10(2)9-15-14(16)18-13-8-6-5-7-12(13)17-11(3)4/h5-9,11H,1-4H3,(H,15,16).
What are the key properties of (2-propan-2-yloxyphenyl) N-(2-methylprop-1-enyl)carbamate?
(2-propan-2-yloxyphenyl) N-(2-methylprop-1-enyl)carbamate has a molecular weight of 249.31 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-propan-2-yloxyphenyl) N-(2-methylprop-1-enyl)carbamate is sourced from PubChem (CID 71409285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).