benzyl N-morpholin-4-ylcarbamate

C12H16N2O3 — CID 54530052

IUPACbenzyl N-morpholin-4-ylcarbamate
SMILESO=C(NN1CCOCC1)OCc1ccccc1
InChIInChI=1S/C12H16N2O3/c15-12(13-14-6-8-16-9-7-14)17-10-11-4-2-1-3-5-11/h1-5H,6-10H2,(H,13,15)
InChIKeyYVWHUHJIIUEYTI-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.16
Rot. Bonds3

About benzyl N-morpholin-4-ylcarbamate

benzyl N-morpholin-4-ylcarbamate (PubChem CID 54530052) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is benzyl N-morpholin-4-ylcarbamate.

Molecular Properties

Compound Namebenzyl N-morpholin-4-ylcarbamate
PubChem CID54530052
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Namebenzyl N-morpholin-4-ylcarbamate
SMILESO=C(NN1CCOCC1)OCc1ccccc1
InChIInChI=1S/C12H16N2O3/c15-12(13-14-6-8-16-9-7-14)17-10-11-4-2-1-3-5-11/h1-5H,6-10H2,(H,13,15)
InChIKeyYVWHUHJIIUEYTI-UHFFFAOYSA-N
XLogP1.16
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl N-piperidin-1-ylcarbamate
CID 3770567
benzyl N-[4-(hydroxymethyl)piperidin-1-yl]carbamate
CID 70001359
benzyl 2-methyl-3-(morpholin-4-ylamino)propanoate
CID 106484119
benzyl N-(2-morpholin-4-yl-3-phenylpropyl)carbamate
CID 110403830
1-benzyl-3-morpholin-4-ylurea
CID 107653208
benzyl N-[(2R)-3-amino-1-morpholin-4-yl-1-oxopropan-2-yl]carbamate
CID 59324457
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-[4-(2-morpholin-4-ylethoxy)phenyl]carbamate;hydrochloride
CID 24836503
benzyl N-[4-[(4-oxocyclohexyl)methyl]piperazin-1-yl]carbamate
CID 178015531
benzyl [(E)-3-morpholin-4-ylprop-2-enyl] carbonate
CID 175972367
benzyl N-(1,4-dioxepan-6-yl)carbamate
CID 131219269
benzyl N-(3-methyl-1-morpholin-4-yl-1-oxopentan-2-yl)carbamate
CID 51149564

Frequently Asked Questions

What is the IUPAC name of benzyl N-morpholin-4-ylcarbamate?
The IUPAC name of benzyl N-morpholin-4-ylcarbamate (CID 54530052) is benzyl N-morpholin-4-ylcarbamate.
What is the SMILES notation for benzyl N-morpholin-4-ylcarbamate?
The canonical SMILES for benzyl N-morpholin-4-ylcarbamate is O=C(NN1CCOCC1)OCc1ccccc1.
What is the InChIKey of benzyl N-morpholin-4-ylcarbamate?
The InChIKey is YVWHUHJIIUEYTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c15-12(13-14-6-8-16-9-7-14)17-10-11-4-2-1-3-5-11/h1-5H,6-10H2,(H,13,15).
What are the key properties of benzyl N-morpholin-4-ylcarbamate?
benzyl N-morpholin-4-ylcarbamate has a molecular weight of 236.27 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-morpholin-4-ylcarbamate is sourced from PubChem (CID 54530052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).