benzyl 2-[(2,2-dimethylpropylamino)methyl]morpholine-4-carboxylate

C18H28N2O3 — CID 107254724

IUPACbenzyl 2-[(2,2-dimethylpropylamino)methyl]morpholine-4-carboxylate
SMILESCC(C)(C)CNCC1CN(C(=O)OCc2ccccc2)CCO1
InChIInChI=1S/C18H28N2O3/c1-18(2,3)14-19-11-16-12-20(9-10-22-16)17(21)23-13-15-7-5-4-6-8-15/h4-8,16,19H,9-14H2,1-3H3
InChIKeyGBDFDTZWGDXLSU-UHFFFAOYSA-N
MW320.43 g/mol
LogP2.66
Rot. Bonds5

About benzyl 2-[(2,2-dimethylpropylamino)methyl]morpholine-4-carboxylate

benzyl 2-[(2,2-dimethylpropylamino)methyl]morpholine-4-carboxylate (PubChem CID 107254724) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is benzyl 2-[(2,2-dimethylpropylamino)methyl]morpholine-4-carboxylate.

Molecular Properties

Compound Namebenzyl 2-[(2,2-dimethylpropylamino)methyl]morpholine-4-carboxylate
PubChem CID107254724
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC Namebenzyl 2-[(2,2-dimethylpropylamino)methyl]morpholine-4-carboxylate
SMILESCC(C)(C)CNCC1CN(C(=O)OCc2ccccc2)CCO1
InChIInChI=1S/C18H28N2O3/c1-18(2,3)14-19-11-16-12-20(9-10-22-16)17(21)23-13-15-7-5-4-6-8-15/h4-8,16,19H,9-14H2,1-3H3
InChIKeyGBDFDTZWGDXLSU-UHFFFAOYSA-N
XLogP2.66
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl 2-[[(3-methoxy-3-methylbutyl)amino]methyl]morpholine-4-carboxylate
CID 107254946
benzyl 2-[(oxan-4-ylmethylamino)methyl]morpholine-4-carboxylate
CID 107255000
benzyl (2R)-2-ethylmorpholine-4-carboxylate
CID 164672406
tert-butyl 2-[(benzylamino)methyl]morpholine-4-carboxylate
CID 24730238
benzyl 2-[[(3-methylimidazol-4-yl)methylamino]methyl]morpholine-4-carboxylate
CID 107254992
benzyl 2-[(1,3-thiazol-2-ylmethylamino)methyl]morpholine-4-carboxylate
CID 107254883
benzyl 2-[[(4,5-dibromothiophen-2-yl)methylamino]methyl]morpholine-4-carboxylate
CID 107254957
benzyl (2S)-2-(ethoxymethyl)morpholine-4-carboxylate
CID 175632002
benzyl 2-[[(3-methylcyclopentyl)amino]methyl]morpholine-4-carboxylate
CID 107254987
benzyl 2-[[(3-bromothiophen-2-yl)methylamino]methyl]morpholine-4-carboxylate
CID 107254903
(4-phenylmethoxycarbonylmorpholin-2-yl)methanesulfinic acid
CID 165453803
benzyl 2-[(5-methylheptan-3-ylamino)methyl]morpholine-4-carboxylate
CID 107254875

Frequently Asked Questions

What is the IUPAC name of benzyl 2-[(2,2-dimethylpropylamino)methyl]morpholine-4-carboxylate?
The IUPAC name of benzyl 2-[(2,2-dimethylpropylamino)methyl]morpholine-4-carboxylate (CID 107254724) is benzyl 2-[(2,2-dimethylpropylamino)methyl]morpholine-4-carboxylate.
What is the SMILES notation for benzyl 2-[(2,2-dimethylpropylamino)methyl]morpholine-4-carboxylate?
The canonical SMILES for benzyl 2-[(2,2-dimethylpropylamino)methyl]morpholine-4-carboxylate is CC(C)(C)CNCC1CN(C(=O)OCc2ccccc2)CCO1.
What is the InChIKey of benzyl 2-[(2,2-dimethylpropylamino)methyl]morpholine-4-carboxylate?
The InChIKey is GBDFDTZWGDXLSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-18(2,3)14-19-11-16-12-20(9-10-22-16)17(21)23-13-15-7-5-4-6-8-15/h4-8,16,19H,9-14H2,1-3H3.
What are the key properties of benzyl 2-[(2,2-dimethylpropylamino)methyl]morpholine-4-carboxylate?
benzyl 2-[(2,2-dimethylpropylamino)methyl]morpholine-4-carboxylate has a molecular weight of 320.43 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-[(2,2-dimethylpropylamino)methyl]morpholine-4-carboxylate is sourced from PubChem (CID 107254724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).