2-[3-(cyclopentylmethoxy)phenoxy]propyl carbamate

C16H23NO4 — CID 143785987

IUPAC2-[3-(cyclopentylmethoxy)phenoxy]propyl carbamate
SMILESCC(COC(N)=O)Oc1cccc(OCC2CCCC2)c1
InChIInChI=1S/C16H23NO4/c1-12(10-20-16(17)18)21-15-8-4-7-14(9-15)19-11-13-5-2-3-6-13/h4,7-9,12-13H,2-3,5-6,10-11H2,1H3,(H2,17,18)
InChIKeyGARCJBIBIWLGOA-UHFFFAOYSA-N
MW293.36 g/mol
LogP3.12
Rot. Bonds7

About 2-[3-(cyclopentylmethoxy)phenoxy]propyl carbamate

2-[3-(cyclopentylmethoxy)phenoxy]propyl carbamate (PubChem CID 143785987) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is 2-[3-(cyclopentylmethoxy)phenoxy]propyl carbamate.

Molecular Properties

Compound Name2-[3-(cyclopentylmethoxy)phenoxy]propyl carbamate
PubChem CID143785987
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Name2-[3-(cyclopentylmethoxy)phenoxy]propyl carbamate
SMILESCC(COC(N)=O)Oc1cccc(OCC2CCCC2)c1
InChIInChI=1S/C16H23NO4/c1-12(10-20-16(17)18)21-15-8-4-7-14(9-15)19-11-13-5-2-3-6-13/h4,7-9,12-13H,2-3,5-6,10-11H2,1H3,(H2,17,18)
InChIKeyGARCJBIBIWLGOA-UHFFFAOYSA-N
XLogP3.12
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(cyclohexylmethoxy)phenoxy]propan-1-amine
CID 67316667
2-[3-(cyclohexylmethoxy)phenoxy]propylcarbamic acid
CID 68856997
(2R)-2-[3-(cyclohexylmethoxy)phenoxy]-N-methylpropan-1-amine
CID 170000859
1-[3-(cyclopentylmethoxy)phenyl]ethanamine
CID 61344449
1-[3-(cyclobutylmethoxy)phenyl]propan-2-amine
CID 65459309
3-(cyclooctylmethoxy)benzoic acid
CID 58347494
(3-propoxyphenoxy)methylcyclooctane
CID 69097441
[3-[(2R)-butan-2-yl]oxyphenoxy]methylcycloheptane;(1R)-1-[3-(cycloheptylmethoxy)phenyl]butan-1-ol;(1S)-1-[3-(cyclohexylmethoxy)phenyl]butan-1-ol;(1R)-1-[3-(cyclohexylmethoxy)phenyl]butan-1-ol;(1S)-1-[3-(cyclopentylmethoxy)phenyl]butan-1-ol;(1R)-1-[3-(cyclopentylmethoxy)phenyl]butan-1-ol;(1S)-1-[3-(2-ethylbutoxy)phenyl]butan-1-ol;(1R)-1-[3-(2-ethylbutoxy)phenyl]butan-1-ol;(1S)-1-[3-(2-propylpentoxy)phenyl]butan-1-ol;(1R)-1-[3-(2-propylpentoxy)phenyl]butan-1-ol
CID 158343051
3-(cyclohexylmethoxy)-N-propan-2-ylaniline
CID 68752296
1-[3-(cyclohexylmethoxy)phenyl]-1-(dimethylamino)propan-2-one
CID 68859179
[3-(cyclopropylmethoxy)phenyl] 2-aminoacetate
CID 134226868
1-[3-(cyclohexylmethoxy)phenyl]propan-1-ol
CID 58097643

Frequently Asked Questions

What is the IUPAC name of 2-[3-(cyclopentylmethoxy)phenoxy]propyl carbamate?
The IUPAC name of 2-[3-(cyclopentylmethoxy)phenoxy]propyl carbamate (CID 143785987) is 2-[3-(cyclopentylmethoxy)phenoxy]propyl carbamate.
What is the SMILES notation for 2-[3-(cyclopentylmethoxy)phenoxy]propyl carbamate?
The canonical SMILES for 2-[3-(cyclopentylmethoxy)phenoxy]propyl carbamate is CC(COC(N)=O)Oc1cccc(OCC2CCCC2)c1.
What is the InChIKey of 2-[3-(cyclopentylmethoxy)phenoxy]propyl carbamate?
The InChIKey is GARCJBIBIWLGOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-12(10-20-16(17)18)21-15-8-4-7-14(9-15)19-11-13-5-2-3-6-13/h4,7-9,12-13H,2-3,5-6,10-11H2,1H3,(H2,17,18).
What are the key properties of 2-[3-(cyclopentylmethoxy)phenoxy]propyl carbamate?
2-[3-(cyclopentylmethoxy)phenoxy]propyl carbamate has a molecular weight of 293.36 g/mol, XLogP of 3.12, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(cyclopentylmethoxy)phenoxy]propyl carbamate is sourced from PubChem (CID 143785987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).