(3-propan-2-yloxyphenyl)methyl N,N-dimethylcarbamate

C13H19NO3 — CID 12963459

IUPAC(3-propan-2-yloxyphenyl)methyl N,N-dimethylcarbamate
SMILESCC(C)Oc1cccc(COC(=O)N(C)C)c1
InChIInChI=1S/C13H19NO3/c1-10(2)17-12-7-5-6-11(8-12)9-16-13(15)14(3)4/h5-8,10H,9H2,1-4H3
InChIKeyWXMFYSZCXXRQQQ-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.67
Rot. Bonds4

About (3-propan-2-yloxyphenyl)methyl N,N-dimethylcarbamate

(3-propan-2-yloxyphenyl)methyl N,N-dimethylcarbamate (PubChem CID 12963459) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is (3-propan-2-yloxyphenyl)methyl N,N-dimethylcarbamate.

Molecular Properties

Compound Name(3-propan-2-yloxyphenyl)methyl N,N-dimethylcarbamate
PubChem CID12963459
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name(3-propan-2-yloxyphenyl)methyl N,N-dimethylcarbamate
SMILESCC(C)Oc1cccc(COC(=O)N(C)C)c1
InChIInChI=1S/C13H19NO3/c1-10(2)17-12-7-5-6-11(8-12)9-16-13(15)14(3)4/h5-8,10H,9H2,1-4H3
InChIKeyWXMFYSZCXXRQQQ-UHFFFAOYSA-N
XLogP2.67
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl N,N-dimethylcarbamate
CID 12963450
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CID 64867927
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CID 122066518
methyl 2-[(3-propan-2-yloxyphenyl)methylamino]propanoate
CID 54959179
2-methyl-1-[methyl-[(3-propan-2-yloxyphenyl)methyl]amino]propan-2-ol
CID 111336303
1-[propan-2-yl-[(3-propan-2-yloxyphenyl)methyl]amino]propan-2-ol
CID 111107920
2-methyl-2-phenyl-N-[(3-propan-2-yloxyphenyl)methoxy]propanamide
CID 56574152
2-amino-N-methyl-2-phenyl-N-[(3-propan-2-yloxyphenyl)methyl]acetamide;hydrochloride
CID 86784454
(3-phenoxyphenyl)methyl N-(1-phenylethyl)-N-propan-2-ylcarbamate
CID 21125417

Frequently Asked Questions

What is the IUPAC name of (3-propan-2-yloxyphenyl)methyl N,N-dimethylcarbamate?
The IUPAC name of (3-propan-2-yloxyphenyl)methyl N,N-dimethylcarbamate (CID 12963459) is (3-propan-2-yloxyphenyl)methyl N,N-dimethylcarbamate.
What is the SMILES notation for (3-propan-2-yloxyphenyl)methyl N,N-dimethylcarbamate?
The canonical SMILES for (3-propan-2-yloxyphenyl)methyl N,N-dimethylcarbamate is CC(C)Oc1cccc(COC(=O)N(C)C)c1.
What is the InChIKey of (3-propan-2-yloxyphenyl)methyl N,N-dimethylcarbamate?
The InChIKey is WXMFYSZCXXRQQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-10(2)17-12-7-5-6-11(8-12)9-16-13(15)14(3)4/h5-8,10H,9H2,1-4H3.
What are the key properties of (3-propan-2-yloxyphenyl)methyl N,N-dimethylcarbamate?
(3-propan-2-yloxyphenyl)methyl N,N-dimethylcarbamate has a molecular weight of 237.30 g/mol, XLogP of 2.67, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-propan-2-yloxyphenyl)methyl N,N-dimethylcarbamate is sourced from PubChem (CID 12963459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).