2-[3-(cyclohexylmethoxy)phenoxy]propylcarbamic acid

C17H25NO4 — CID 68856997

IUPAC2-[3-(cyclohexylmethoxy)phenoxy]propylcarbamic acid
SMILESCC(CNC(=O)O)Oc1cccc(OCC2CCCCC2)c1
InChIInChI=1S/C17H25NO4/c1-13(11-18-17(19)20)22-16-9-5-8-15(10-16)21-12-14-6-3-2-4-7-14/h5,8-10,13-14,18H,2-4,6-7,11-12H2,1H3,(H,19,20)
InChIKeyGEHRTCOUPPXOBM-UHFFFAOYSA-N
MW307.39 g/mol
LogP3.68
Rot. Bonds7

About 2-[3-(cyclohexylmethoxy)phenoxy]propylcarbamic acid

2-[3-(cyclohexylmethoxy)phenoxy]propylcarbamic acid (PubChem CID 68856997) has the molecular formula C17H25NO4 and a molecular weight of 307.39 g/mol. Its IUPAC name is 2-[3-(cyclohexylmethoxy)phenoxy]propylcarbamic acid.

Molecular Properties

Compound Name2-[3-(cyclohexylmethoxy)phenoxy]propylcarbamic acid
PubChem CID68856997
Molecular FormulaC17H25NO4
Molecular Weight307.39 g/mol
Exact Mass307.18
IUPAC Name2-[3-(cyclohexylmethoxy)phenoxy]propylcarbamic acid
SMILESCC(CNC(=O)O)Oc1cccc(OCC2CCCCC2)c1
InChIInChI=1S/C17H25NO4/c1-13(11-18-17(19)20)22-16-9-5-8-15(10-16)21-12-14-6-3-2-4-7-14/h5,8-10,13-14,18H,2-4,6-7,11-12H2,1H3,(H,19,20)
InChIKeyGEHRTCOUPPXOBM-UHFFFAOYSA-N
XLogP3.68
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[3-(cyclohexylmethoxy)phenoxy]-N-methylpropan-1-amine
CID 170000859
2-[3-(cyclohexylmethoxy)phenoxy]propan-1-amine
CID 67316667
2-[3-(cyclopentylmethoxy)phenoxy]propyl carbamate
CID 143785987
3-(cyclooctylmethoxy)benzoic acid
CID 58347494
3-(cyclohexylmethoxy)-N-propan-2-ylaniline
CID 68752296
N-[2-(3-ethoxyphenoxy)propyl]cyclohexanamine
CID 62584741
1-[3-(cyclopentylmethoxy)phenyl]ethanamine
CID 61344449
(3-propoxyphenoxy)methylcyclooctane
CID 69097441
4-[3-(cyclohexylmethoxy)phenyl]-2,4-dioxobutanoic acid
CID 510663
tert-butyl N-[3-[3-(cyclohexylmethoxy)phenyl]-2-hydroxypropyl]carbamate
CID 58027630
cyclohexylmethoxybenzene
CID 14399287
4-[2-(3-methylphenoxy)propylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120673900

Frequently Asked Questions

What is the IUPAC name of 2-[3-(cyclohexylmethoxy)phenoxy]propylcarbamic acid?
The IUPAC name of 2-[3-(cyclohexylmethoxy)phenoxy]propylcarbamic acid (CID 68856997) is 2-[3-(cyclohexylmethoxy)phenoxy]propylcarbamic acid.
What is the SMILES notation for 2-[3-(cyclohexylmethoxy)phenoxy]propylcarbamic acid?
The canonical SMILES for 2-[3-(cyclohexylmethoxy)phenoxy]propylcarbamic acid is CC(CNC(=O)O)Oc1cccc(OCC2CCCCC2)c1.
What is the InChIKey of 2-[3-(cyclohexylmethoxy)phenoxy]propylcarbamic acid?
The InChIKey is GEHRTCOUPPXOBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO4/c1-13(11-18-17(19)20)22-16-9-5-8-15(10-16)21-12-14-6-3-2-4-7-14/h5,8-10,13-14,18H,2-4,6-7,11-12H2,1H3,(H,19,20).
What are the key properties of 2-[3-(cyclohexylmethoxy)phenoxy]propylcarbamic acid?
2-[3-(cyclohexylmethoxy)phenoxy]propylcarbamic acid has a molecular weight of 307.39 g/mol, XLogP of 3.68, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(cyclohexylmethoxy)phenoxy]propylcarbamic acid is sourced from PubChem (CID 68856997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).