benzyl 2-[(oxan-4-ylmethylamino)methyl]morpholine-4-carboxylate

C19H28N2O4 — CID 107255000

IUPACbenzyl 2-[(oxan-4-ylmethylamino)methyl]morpholine-4-carboxylate
SMILESO=C(OCc1ccccc1)N1CCOC(CNCC2CCOCC2)C1
InChIInChI=1S/C19H28N2O4/c22-19(25-15-17-4-2-1-3-5-17)21-8-11-24-18(14-21)13-20-12-16-6-9-23-10-7-16/h1-5,16,18,20H,6-15H2
InChIKeyFRVNZTUDJCFJKU-UHFFFAOYSA-N
MW348.44 g/mol
LogP2.04
Rot. Bonds6

About benzyl 2-[(oxan-4-ylmethylamino)methyl]morpholine-4-carboxylate

benzyl 2-[(oxan-4-ylmethylamino)methyl]morpholine-4-carboxylate (PubChem CID 107255000) has the molecular formula C19H28N2O4 and a molecular weight of 348.44 g/mol. Its IUPAC name is benzyl 2-[(oxan-4-ylmethylamino)methyl]morpholine-4-carboxylate.

Molecular Properties

Compound Namebenzyl 2-[(oxan-4-ylmethylamino)methyl]morpholine-4-carboxylate
PubChem CID107255000
Molecular FormulaC19H28N2O4
Molecular Weight348.44 g/mol
Exact Mass348.20
IUPAC Namebenzyl 2-[(oxan-4-ylmethylamino)methyl]morpholine-4-carboxylate
SMILESO=C(OCc1ccccc1)N1CCOC(CNCC2CCOCC2)C1
InChIInChI=1S/C19H28N2O4/c22-19(25-15-17-4-2-1-3-5-17)21-8-11-24-18(14-21)13-20-12-16-6-9-23-10-7-16/h1-5,16,18,20H,6-15H2
InChIKeyFRVNZTUDJCFJKU-UHFFFAOYSA-N
XLogP2.04
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

benzyl 2-[(2,2-dimethylpropylamino)methyl]morpholine-4-carboxylate
CID 107254724
benzyl (2R)-2-ethylmorpholine-4-carboxylate
CID 164672406
benzyl 2-[[(3-methoxy-3-methylbutyl)amino]methyl]morpholine-4-carboxylate
CID 107254946
benzyl 2-[[1-(oxolan-3-yl)ethylamino]methyl]morpholine-4-carboxylate
CID 107254776
benzyl 2-[[(4,5-dibromothiophen-2-yl)methylamino]methyl]morpholine-4-carboxylate
CID 107254957
benzyl 2-[(1,3-thiazol-2-ylmethylamino)methyl]morpholine-4-carboxylate
CID 107254883
benzyl 2-[[(3-methylcyclopentyl)amino]methyl]morpholine-4-carboxylate
CID 107254987
benzyl 2-[[(3-bromothiophen-2-yl)methylamino]methyl]morpholine-4-carboxylate
CID 107254903
benzyl 2-[[(3-methylimidazol-4-yl)methylamino]methyl]morpholine-4-carboxylate
CID 107254992
(4-phenylmethoxycarbonylmorpholin-2-yl)methanesulfinic acid
CID 165453803
benzyl 2-(2-cyanoethyl)morpholine-4-carboxylate
CID 14882034
benzyl (2S)-2-(ethoxymethyl)morpholine-4-carboxylate
CID 175632002

Frequently Asked Questions

What is the IUPAC name of benzyl 2-[(oxan-4-ylmethylamino)methyl]morpholine-4-carboxylate?
The IUPAC name of benzyl 2-[(oxan-4-ylmethylamino)methyl]morpholine-4-carboxylate (CID 107255000) is benzyl 2-[(oxan-4-ylmethylamino)methyl]morpholine-4-carboxylate.
What is the SMILES notation for benzyl 2-[(oxan-4-ylmethylamino)methyl]morpholine-4-carboxylate?
The canonical SMILES for benzyl 2-[(oxan-4-ylmethylamino)methyl]morpholine-4-carboxylate is O=C(OCc1ccccc1)N1CCOC(CNCC2CCOCC2)C1.
What is the InChIKey of benzyl 2-[(oxan-4-ylmethylamino)methyl]morpholine-4-carboxylate?
The InChIKey is FRVNZTUDJCFJKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O4/c22-19(25-15-17-4-2-1-3-5-17)21-8-11-24-18(14-21)13-20-12-16-6-9-23-10-7-16/h1-5,16,18,20H,6-15H2.
What are the key properties of benzyl 2-[(oxan-4-ylmethylamino)methyl]morpholine-4-carboxylate?
benzyl 2-[(oxan-4-ylmethylamino)methyl]morpholine-4-carboxylate has a molecular weight of 348.44 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-[(oxan-4-ylmethylamino)methyl]morpholine-4-carboxylate is sourced from PubChem (CID 107255000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).