[1-methoxy-1-(2-methylphenyl)propan-2-yl] N-propylcarbamate

C15H23NO3 — CID 123214058

IUPAC[1-methoxy-1-(2-methylphenyl)propan-2-yl] N-propylcarbamate
SMILESCCCNC(=O)OC(C)C(OC)c1ccccc1C
InChIInChI=1S/C15H23NO3/c1-5-10-16-15(17)19-12(3)14(18-4)13-9-7-6-8-11(13)2/h6-9,12,14H,5,10H2,1-4H3,(H,16,17)
InChIKeyWGGLWSVUNGGOCE-UHFFFAOYSA-N
MW265.35 g/mol
LogP3.21
Rot. Bonds6

About [1-methoxy-1-(2-methylphenyl)propan-2-yl] N-propylcarbamate

[1-methoxy-1-(2-methylphenyl)propan-2-yl] N-propylcarbamate (PubChem CID 123214058) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is [1-methoxy-1-(2-methylphenyl)propan-2-yl] N-propylcarbamate.

Molecular Properties

Compound Name[1-methoxy-1-(2-methylphenyl)propan-2-yl] N-propylcarbamate
PubChem CID123214058
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name[1-methoxy-1-(2-methylphenyl)propan-2-yl] N-propylcarbamate
SMILESCCCNC(=O)OC(C)C(OC)c1ccccc1C
InChIInChI=1S/C15H23NO3/c1-5-10-16-15(17)19-12(3)14(18-4)13-9-7-6-8-11(13)2/h6-9,12,14H,5,10H2,1-4H3,(H,16,17)
InChIKeyWGGLWSVUNGGOCE-UHFFFAOYSA-N
XLogP3.21
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-methoxy-1-(2-methylphenyl)propan-2-yl] N-hexan-3-ylcarbamate
CID 123694763
[1-(2-chlorophenyl)-1-(1-methoxypentoxy)propan-2-yl] N-propylcarbamate
CID 123499796
[1-methoxy-3-methyl-1-(2-methylphenyl)butan-2-yl] N-benzylcarbamate
CID 123940919
[(1R)-1-(2-chlorophenyl)-1-methoxypropan-2-yl] N-propan-2-ylcarbamate
CID 144705888
[(1R)-1-(2-methylphenyl)prop-2-enyl] N-butylcarbamate
CID 141398944
2-chloro-2-(2-methylphenyl)-N-propylacetamide
CID 62224578
[1-hydroxy-1-(2-methylphenyl)propan-2-yl] N-benzylcarbamate
CID 123699873
[2-methoxy-1-(2-methylphenyl)propyl] carbamate
CID 123675693
[1-methoxy-1-(2-methylphenyl)hexan-2-yl] carbamate
CID 123697501
1-(2-nitrophenyl)ethyl N-propylcarbamate
CID 90993453
[1-(methoxymethoxy)-1-(2-methylphenyl)propan-2-yl] N-cyclohexylcarbamate
CID 123225281
1-[(S)-(2-methylphenyl)-phenylmethyl]-3-propylurea
CID 100748642

Frequently Asked Questions

What is the IUPAC name of [1-methoxy-1-(2-methylphenyl)propan-2-yl] N-propylcarbamate?
The IUPAC name of [1-methoxy-1-(2-methylphenyl)propan-2-yl] N-propylcarbamate (CID 123214058) is [1-methoxy-1-(2-methylphenyl)propan-2-yl] N-propylcarbamate.
What is the SMILES notation for [1-methoxy-1-(2-methylphenyl)propan-2-yl] N-propylcarbamate?
The canonical SMILES for [1-methoxy-1-(2-methylphenyl)propan-2-yl] N-propylcarbamate is CCCNC(=O)OC(C)C(OC)c1ccccc1C.
What is the InChIKey of [1-methoxy-1-(2-methylphenyl)propan-2-yl] N-propylcarbamate?
The InChIKey is WGGLWSVUNGGOCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-5-10-16-15(17)19-12(3)14(18-4)13-9-7-6-8-11(13)2/h6-9,12,14H,5,10H2,1-4H3,(H,16,17).
What are the key properties of [1-methoxy-1-(2-methylphenyl)propan-2-yl] N-propylcarbamate?
[1-methoxy-1-(2-methylphenyl)propan-2-yl] N-propylcarbamate has a molecular weight of 265.35 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methoxy-1-(2-methylphenyl)propan-2-yl] N-propylcarbamate is sourced from PubChem (CID 123214058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).