benzyl N-(oxan-4-ylideneamino)carbamate

C13H16N2O3 — CID 155765609

IUPACbenzyl N-(oxan-4-ylideneamino)carbamate
SMILESO=C(NN=C1CCOCC1)OCc1ccccc1
InChIInChI=1S/C13H16N2O3/c16-13(15-14-12-6-8-17-9-7-12)18-10-11-4-2-1-3-5-11/h1-5H,6-10H2,(H,15,16)
InChIKeyIMYBFWJQAVPWSQ-UHFFFAOYSA-N
MW248.28 g/mol
LogP2.08
Rot. Bonds3

About benzyl N-(oxan-4-ylideneamino)carbamate

benzyl N-(oxan-4-ylideneamino)carbamate (PubChem CID 155765609) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is benzyl N-(oxan-4-ylideneamino)carbamate.

Molecular Properties

Compound Namebenzyl N-(oxan-4-ylideneamino)carbamate
PubChem CID155765609
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Namebenzyl N-(oxan-4-ylideneamino)carbamate
SMILESO=C(NN=C1CCOCC1)OCc1ccccc1
InChIInChI=1S/C13H16N2O3/c16-13(15-14-12-6-8-17-9-7-12)18-10-11-4-2-1-3-5-11/h1-5H,6-10H2,(H,15,16)
InChIKeyIMYBFWJQAVPWSQ-UHFFFAOYSA-N
XLogP2.08
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

benzyl N-morpholin-4-ylcarbamate
CID 54530052
benzyl N-(1,4-dioxepan-6-yl)carbamate
CID 131219269
4-(phenylmethoxycarbonylaminomethyl)oxane-4-carboxylic acid
CID 91667078
benzyl N-[(1R,2R)-2-(phenylmethoxycarbonylamino)cyclopropyl]carbamate
CID 11859602
benzyl N-[[(2R,3R)-2-methyloxolan-3-yl]amino]carbamate;benzyl N-[[(2S,3R)-2-methyloxolan-3-yl]amino]carbamate;benzyl N-[(Z)-(2-methyloxolan-3-ylidene)amino]carbamate;methane
CID 172918331
benzyl N-(3,4-dihydro-1H-isochromen-6-yl)carbamate
CID 86594253
benzyl N-(2-morpholin-4-yl-3-phenylpropyl)carbamate
CID 110403830
benzyl N-(4-hydroxyoxolan-3-yl)carbamate;hydrochloride
CID 133063697
methyl 2-(1,4-dioxecan-7-ylidene)-2-(phenylmethoxycarbonylamino)acetate
CID 90895680
benzyl N-(2-hydroxycyclopropyl)carbamate
CID 69099067
benzyl N-[(2S)-1-oxo-1-[16-[(2S)-2-(phenylmethoxycarbonylamino)propanoyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]propan-2-yl]carbamate
CID 13291357
benzyl N-[2-(phenylmethoxycarbonylamino)ethyl]carbamate;tetrakis(carbon dioxide);ethane-1,2-diamine;oxolane
CID 159435883

Frequently Asked Questions

What is the IUPAC name of benzyl N-(oxan-4-ylideneamino)carbamate?
The IUPAC name of benzyl N-(oxan-4-ylideneamino)carbamate (CID 155765609) is benzyl N-(oxan-4-ylideneamino)carbamate.
What is the SMILES notation for benzyl N-(oxan-4-ylideneamino)carbamate?
The canonical SMILES for benzyl N-(oxan-4-ylideneamino)carbamate is O=C(NN=C1CCOCC1)OCc1ccccc1.
What is the InChIKey of benzyl N-(oxan-4-ylideneamino)carbamate?
The InChIKey is IMYBFWJQAVPWSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c16-13(15-14-12-6-8-17-9-7-12)18-10-11-4-2-1-3-5-11/h1-5H,6-10H2,(H,15,16).
What are the key properties of benzyl N-(oxan-4-ylideneamino)carbamate?
benzyl N-(oxan-4-ylideneamino)carbamate has a molecular weight of 248.28 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(oxan-4-ylideneamino)carbamate is sourced from PubChem (CID 155765609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).