cyclohexylmethyl N-(5-methoxy-3-pyridinyl)-N-phenylcarbamate

C20H24N2O3 — CID 143865577

IUPACcyclohexylmethyl N-(5-methoxy-3-pyridinyl)-N-phenylcarbamate
SMILESCOc1cncc(N(C(=O)OCC2CCCCC2)c2ccccc2)c1
InChIInChI=1S/C20H24N2O3/c1-24-19-12-18(13-21-14-19)22(17-10-6-3-7-11-17)20(23)25-15-16-8-4-2-5-9-16/h3,6-7,10-14,16H,2,4-5,8-9,15H2,1H3
InChIKeyXNMNDQMXERPEIL-UHFFFAOYSA-N
MW340.42 g/mol
LogP4.95
Rot. Bonds5

About cyclohexylmethyl N-(5-methoxy-3-pyridinyl)-N-phenylcarbamate

cyclohexylmethyl N-(5-methoxy-3-pyridinyl)-N-phenylcarbamate (PubChem CID 143865577) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is cyclohexylmethyl N-(5-methoxy-3-pyridinyl)-N-phenylcarbamate.

Molecular Properties

Compound Namecyclohexylmethyl N-(5-methoxy-3-pyridinyl)-N-phenylcarbamate
PubChem CID143865577
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Namecyclohexylmethyl N-(5-methoxy-3-pyridinyl)-N-phenylcarbamate
SMILESCOc1cncc(N(C(=O)OCC2CCCCC2)c2ccccc2)c1
InChIInChI=1S/C20H24N2O3/c1-24-19-12-18(13-21-14-19)22(17-10-6-3-7-11-17)20(23)25-15-16-8-4-2-5-9-16/h3,6-7,10-14,16H,2,4-5,8-9,15H2,1H3
InChIKeyXNMNDQMXERPEIL-UHFFFAOYSA-N
XLogP4.95
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

cyclohexylmethyl N-(3-methoxyphenyl)-N-phenylcarbamate
CID 143865566
cyclohexylmethyl N-(4-chlorophenyl)-N-phenylcarbamate;2-methoxyacetamide
CID 169189359
cyclohexylmethyl N-phenyl-N-pyridin-2-ylcarbamate;2-methoxyacetic acid
CID 143865612
cyclohexylmethyl N-(4-chlorophenyl)-N-(4-hydroxyphenyl)carbamate
CID 143865656
2-cycloheptyl-1-(5-methoxy-3-pyridinyl)ethanone
CID 115793367
cyclohexylmethyl N-(3-fluoro-4-methylphenyl)-N-(3-fluorophenyl)carbamate;2-methoxyacetic acid
CID 143865582
N-[1-(cyclohexylmethoxy)ethenyl]-3-fluoro-N-(4-methoxyphenyl)aniline
CID 166763856
2-[[4-[[[(3E,5Z)-hepta-1,3,5-trien-3-yl]-(5-methoxy-3-pyridinyl)carbamoyl]oxymethyl]cyclohexyl]methoxy]acetic acid
CID 166763865
benzoic acid;methoxymethylcyclohexane
CID 175415905
sodium;2-[[4-[[(3-fluorophenyl)-phenylcarbamoyl]oxymethyl]cyclohexyl]methoxy]acetic acid;hydride
CID 173215030
cyclohexylmethyl N,N-dimethylcarbamate
CID 12696074
cyclohexylmethyl (2S)-2-phenylpropanoate
CID 134967383

Frequently Asked Questions

What is the IUPAC name of cyclohexylmethyl N-(5-methoxy-3-pyridinyl)-N-phenylcarbamate?
The IUPAC name of cyclohexylmethyl N-(5-methoxy-3-pyridinyl)-N-phenylcarbamate (CID 143865577) is cyclohexylmethyl N-(5-methoxy-3-pyridinyl)-N-phenylcarbamate.
What is the SMILES notation for cyclohexylmethyl N-(5-methoxy-3-pyridinyl)-N-phenylcarbamate?
The canonical SMILES for cyclohexylmethyl N-(5-methoxy-3-pyridinyl)-N-phenylcarbamate is COc1cncc(N(C(=O)OCC2CCCCC2)c2ccccc2)c1.
What is the InChIKey of cyclohexylmethyl N-(5-methoxy-3-pyridinyl)-N-phenylcarbamate?
The InChIKey is XNMNDQMXERPEIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-24-19-12-18(13-21-14-19)22(17-10-6-3-7-11-17)20(23)25-15-16-8-4-2-5-9-16/h3,6-7,10-14,16H,2,4-5,8-9,15H2,1H3.
What are the key properties of cyclohexylmethyl N-(5-methoxy-3-pyridinyl)-N-phenylcarbamate?
cyclohexylmethyl N-(5-methoxy-3-pyridinyl)-N-phenylcarbamate has a molecular weight of 340.42 g/mol, XLogP of 4.95, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexylmethyl N-(5-methoxy-3-pyridinyl)-N-phenylcarbamate is sourced from PubChem (CID 143865577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).