benzyl N-[4-[(5-fluoro-2-pyridinyl)oxymethyl]hexyl]carbamate

C20H25FN2O3 — CID 129095932

IUPACbenzyl N-[4-[(5-fluoro-2-pyridinyl)oxymethyl]hexyl]carbamate
SMILESCCC(CCCNC(=O)OCc1ccccc1)COc1ccc(F)cn1
InChIInChI=1S/C20H25FN2O3/c1-2-16(14-25-19-11-10-18(21)13-23-19)9-6-12-22-20(24)26-15-17-7-4-3-5-8-17/h3-5,7-8,10-11,13,16H,2,6,9,12,14-15H2,1H3,(H,22,24)
InChIKeyIHLSJANFIZCZCP-UHFFFAOYSA-N
MW360.43 g/mol
LogP4.33
Rot. Bonds10

About benzyl N-[4-[(5-fluoro-2-pyridinyl)oxymethyl]hexyl]carbamate

benzyl N-[4-[(5-fluoro-2-pyridinyl)oxymethyl]hexyl]carbamate (PubChem CID 129095932) has the molecular formula C20H25FN2O3 and a molecular weight of 360.43 g/mol. Its IUPAC name is benzyl N-[4-[(5-fluoro-2-pyridinyl)oxymethyl]hexyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[4-[(5-fluoro-2-pyridinyl)oxymethyl]hexyl]carbamate
PubChem CID129095932
Molecular FormulaC20H25FN2O3
Molecular Weight360.43 g/mol
Exact Mass360.18
IUPAC Namebenzyl N-[4-[(5-fluoro-2-pyridinyl)oxymethyl]hexyl]carbamate
SMILESCCC(CCCNC(=O)OCc1ccccc1)COc1ccc(F)cn1
InChIInChI=1S/C20H25FN2O3/c1-2-16(14-25-19-11-10-18(21)13-23-19)9-6-12-22-20(24)26-15-17-7-4-3-5-8-17/h3-5,7-8,10-11,13,16H,2,6,9,12,14-15H2,1H3,(H,22,24)
InChIKeyIHLSJANFIZCZCP-UHFFFAOYSA-N
XLogP4.33
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.43
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl (2S)-2-ethyl-5-(phenylmethoxycarbonylamino)pentanoate
CID 58058033
(2S)-2-methyl-5-(phenylmethoxycarbonylamino)pentanoic acid
CID 67585772
benzyl N-[18-(phenylmethoxycarbonylamino)octadecyl]carbamate
CID 67828631
benzyl N-[7-(phenylmethoxycarbonylamino)heptyl]carbamate
CID 562919
benzyl (2S)-2-amino-5-(phenylmethoxycarbonylamino)pentanoate
CID 14808145
benzyl (2R)-2-amino-5-(phenylmethoxycarbonylamino)pentanoate
CID 14808146
benzyl N-(6-methylheptyl)carbamate
CID 59918495
ethyl 4-ethyl-3-oxo-7-(phenylmethoxycarbonylamino)heptanoate
CID 121286565
(2R)-2-methyl-6-(phenylmethoxycarbonylamino)hexanoic acid;propane
CID 158989140
benzyl N-(6-butoxy-3-pyridinyl)carbamate
CID 42691168
2-methylpropyl (2S)-2-amino-6-(phenylmethoxycarbonylamino)hexanoate
CID 154988305
(4-fluorophenyl)methyl N-benzylcarbamate
CID 11334433

Frequently Asked Questions

What is the IUPAC name of benzyl N-[4-[(5-fluoro-2-pyridinyl)oxymethyl]hexyl]carbamate?
The IUPAC name of benzyl N-[4-[(5-fluoro-2-pyridinyl)oxymethyl]hexyl]carbamate (CID 129095932) is benzyl N-[4-[(5-fluoro-2-pyridinyl)oxymethyl]hexyl]carbamate.
What is the SMILES notation for benzyl N-[4-[(5-fluoro-2-pyridinyl)oxymethyl]hexyl]carbamate?
The canonical SMILES for benzyl N-[4-[(5-fluoro-2-pyridinyl)oxymethyl]hexyl]carbamate is CCC(CCCNC(=O)OCc1ccccc1)COc1ccc(F)cn1.
What is the InChIKey of benzyl N-[4-[(5-fluoro-2-pyridinyl)oxymethyl]hexyl]carbamate?
The InChIKey is IHLSJANFIZCZCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O3/c1-2-16(14-25-19-11-10-18(21)13-23-19)9-6-12-22-20(24)26-15-17-7-4-3-5-8-17/h3-5,7-8,10-11,13,16H,2,6,9,12,14-15H2,1H3,(H,22,24).
What are the key properties of benzyl N-[4-[(5-fluoro-2-pyridinyl)oxymethyl]hexyl]carbamate?
benzyl N-[4-[(5-fluoro-2-pyridinyl)oxymethyl]hexyl]carbamate has a molecular weight of 360.43 g/mol, XLogP of 4.33, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[4-[(5-fluoro-2-pyridinyl)oxymethyl]hexyl]carbamate is sourced from PubChem (CID 129095932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).