benzyl 2-benzyl-6-methylmorpholine-4-carboxylate

C20H23NO3 — CID 110644179

IUPACbenzyl 2-benzyl-6-methylmorpholine-4-carboxylate
SMILESCC1CN(C(=O)OCc2ccccc2)CC(Cc2ccccc2)O1
InChIInChI=1S/C20H23NO3/c1-16-13-21(20(22)23-15-18-10-6-3-7-11-18)14-19(24-16)12-17-8-4-2-5-9-17/h2-11,16,19H,12-15H2,1H3
InChIKeyUQAXVBBNHUIKDM-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.66
Rot. Bonds4

About benzyl 2-benzyl-6-methylmorpholine-4-carboxylate

benzyl 2-benzyl-6-methylmorpholine-4-carboxylate (PubChem CID 110644179) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is benzyl 2-benzyl-6-methylmorpholine-4-carboxylate.

Molecular Properties

Compound Namebenzyl 2-benzyl-6-methylmorpholine-4-carboxylate
PubChem CID110644179
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Namebenzyl 2-benzyl-6-methylmorpholine-4-carboxylate
SMILESCC1CN(C(=O)OCc2ccccc2)CC(Cc2ccccc2)O1
InChIInChI=1S/C20H23NO3/c1-16-13-21(20(22)23-15-18-10-6-3-7-11-18)14-19(24-16)12-17-8-4-2-5-9-17/h2-11,16,19H,12-15H2,1H3
InChIKeyUQAXVBBNHUIKDM-UHFFFAOYSA-N
XLogP3.66
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl (2R,6R)-2,6-bis(iodomethyl)morpholine-4-carboxylate
CID 99564646
butyl 2-methyl-6-(phenylmethoxymethyl)morpholine-4-carboxylate
CID 118024658
2-benzyl-N-tert-butyl-6-methylmorpholine-4-carboxamide
CID 110746739
benzyl 3-ethyl-4-methylpyrrolidine-1-carboxylate
CID 70961150
2-benzyl-6-methyl-N-propylmorpholine-4-carboxamide
CID 110644188
benzyl 6-methyl-3,6-diazabicyclo[3.1.0]hexane-3-carboxylate
CID 178029829
(2-benzyl-6-methylmorpholin-4-yl)-thiophen-2-ylmethanone
CID 110644128
benzyl (3S)-3,4-dimethoxypyrrolidine-1-carboxylate
CID 142802088
benzyl 3-(methylamino)azetidine-1-carboxylate
CID 91800975
1-(2-benzyl-6-methylmorpholin-4-yl)-2-(3-methoxyphenyl)ethanone
CID 110706988
1-(2-benzyl-6-methylmorpholin-4-yl)-2-(4-chlorophenoxy)ethanone
CID 110644156
benzyl (2R)-2-ethylmorpholine-4-carboxylate
CID 164672406

Frequently Asked Questions

What is the IUPAC name of benzyl 2-benzyl-6-methylmorpholine-4-carboxylate?
The IUPAC name of benzyl 2-benzyl-6-methylmorpholine-4-carboxylate (CID 110644179) is benzyl 2-benzyl-6-methylmorpholine-4-carboxylate.
What is the SMILES notation for benzyl 2-benzyl-6-methylmorpholine-4-carboxylate?
The canonical SMILES for benzyl 2-benzyl-6-methylmorpholine-4-carboxylate is CC1CN(C(=O)OCc2ccccc2)CC(Cc2ccccc2)O1.
What is the InChIKey of benzyl 2-benzyl-6-methylmorpholine-4-carboxylate?
The InChIKey is UQAXVBBNHUIKDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3/c1-16-13-21(20(22)23-15-18-10-6-3-7-11-18)14-19(24-16)12-17-8-4-2-5-9-17/h2-11,16,19H,12-15H2,1H3.
What are the key properties of benzyl 2-benzyl-6-methylmorpholine-4-carboxylate?
benzyl 2-benzyl-6-methylmorpholine-4-carboxylate has a molecular weight of 325.41 g/mol, XLogP of 3.66, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-benzyl-6-methylmorpholine-4-carboxylate is sourced from PubChem (CID 110644179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).