benzyl N-[2-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethylamino]-2-oxoethyl]carbamate

C18H27N3O4 — CID 94821785

IUPACbenzyl N-[2-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethylamino]-2-oxoethyl]carbamate
SMILESC[C@H]1CN(CCNC(=O)CNC(=O)OCc2ccccc2)C[C@H](C)O1
InChIInChI=1S/C18H27N3O4/c1-14-11-21(12-15(2)25-14)9-8-19-17(22)10-20-18(23)24-13-16-6-4-3-5-7-16/h3-7,14-15H,8-13H2,1-2H3,(H,19,22)(H,20,23)/t14-,15-/m0/s1
InChIKeyVCJHVJXGWXFXGA-GJZGRUSLSA-N
MW349.43 g/mol
LogP1.14
Rot. Bonds7

About benzyl N-[2-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethylamino]-2-oxoethyl]carbamate

benzyl N-[2-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethylamino]-2-oxoethyl]carbamate (PubChem CID 94821785) has the molecular formula C18H27N3O4 and a molecular weight of 349.43 g/mol. Its IUPAC name is benzyl N-[2-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethylamino]-2-oxoethyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[2-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethylamino]-2-oxoethyl]carbamate
PubChem CID94821785
Molecular FormulaC18H27N3O4
Molecular Weight349.43 g/mol
Exact Mass349.20
IUPAC Namebenzyl N-[2-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethylamino]-2-oxoethyl]carbamate
SMILESC[C@H]1CN(CCNC(=O)CNC(=O)OCc2ccccc2)C[C@H](C)O1
InChIInChI=1S/C18H27N3O4/c1-14-11-21(12-15(2)25-14)9-8-19-17(22)10-20-18(23)24-13-16-6-4-3-5-7-16/h3-7,14-15H,8-13H2,1-2H3,(H,19,22)(H,20,23)/t14-,15-/m0/s1
InChIKeyVCJHVJXGWXFXGA-GJZGRUSLSA-N
XLogP1.14
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

benzyl N-[2-(3-phenylmethoxyazetidin-1-yl)ethyl]carbamate
CID 137333145
methyl 3-[[2-[[2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]acetyl]amino]acetyl]amino]propanoate
CID 118927964
benzyl N-[2-[[2-(3-methoxypropylamino)-2-oxoethyl]amino]-2-oxoethyl]carbamate
CID 126009561
benzyl N-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]carbamate
CID 110397607
2-(2,6-dimethylmorpholin-4-yl)-N-(2-phenylethyl)acetamide;oxalic acid
CID 16807058
N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-2-(4-pyrrol-1-ylphenyl)acetamide
CID 172615647
2-[[2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]acetyl]amino]ethoxycarbamic acid
CID 135285198
2-amino-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-3-phenylpropanamide;dihydrochloride
CID 119840992
benzyl 2-[(2S)-2,6-dimethylmorpholin-4-yl]-2-methylpropanoate
CID 134421625
benzyl N-[2-[[(2S)-2-cyclohexyl-2-hydroxypropyl]amino]-2-oxoethyl]carbamate
CID 124845856
4-benzamido-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]benzamide
CID 43048352
benzyl N-[2-[(3-methoxy-2,5-dihydro-1,2-oxazol-5-yl)methylamino]-2-oxoethyl]carbamate
CID 56611189

Frequently Asked Questions

What is the IUPAC name of benzyl N-[2-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethylamino]-2-oxoethyl]carbamate?
The IUPAC name of benzyl N-[2-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethylamino]-2-oxoethyl]carbamate (CID 94821785) is benzyl N-[2-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethylamino]-2-oxoethyl]carbamate.
What is the SMILES notation for benzyl N-[2-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethylamino]-2-oxoethyl]carbamate?
The canonical SMILES for benzyl N-[2-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethylamino]-2-oxoethyl]carbamate is C[C@H]1CN(CCNC(=O)CNC(=O)OCc2ccccc2)C[C@H](C)O1.
What is the InChIKey of benzyl N-[2-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethylamino]-2-oxoethyl]carbamate?
The InChIKey is VCJHVJXGWXFXGA-GJZGRUSLSA-N. The full InChI is InChI=1S/C18H27N3O4/c1-14-11-21(12-15(2)25-14)9-8-19-17(22)10-20-18(23)24-13-16-6-4-3-5-7-16/h3-7,14-15H,8-13H2,1-2H3,(H,19,22)(H,20,23)/t14-,15-/m0/s1.
What are the key properties of benzyl N-[2-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethylamino]-2-oxoethyl]carbamate?
benzyl N-[2-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethylamino]-2-oxoethyl]carbamate has a molecular weight of 349.43 g/mol, XLogP of 1.14, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[2-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethylamino]-2-oxoethyl]carbamate is sourced from PubChem (CID 94821785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).