benzyl N-[(3R,6S)-6-[2-methoxyethyl(methyl)carbamoyl]oxan-3-yl]carbamate

C18H26N2O5 — CID 70913910

IUPACbenzyl N-[(3R,6S)-6-[2-methoxyethyl(methyl)carbamoyl]oxan-3-yl]carbamate
SMILESCOCCN(C)C(=O)[C@@H]1CC[C@@H](NC(=O)OCc2ccccc2)CO1
InChIInChI=1S/C18H26N2O5/c1-20(10-11-23-2)17(21)16-9-8-15(13-24-16)19-18(22)25-12-14-6-4-3-5-7-14/h3-7,15-16H,8-13H2,1-2H3,(H,19,22)/t15-,16+/m1/s1
InChIKeyTVIBAFCTKOWWKP-CVEARBPZSA-N
MW350.42 g/mol
LogP1.57
Rot. Bonds7

About benzyl N-[(3R,6S)-6-[2-methoxyethyl(methyl)carbamoyl]oxan-3-yl]carbamate

benzyl N-[(3R,6S)-6-[2-methoxyethyl(methyl)carbamoyl]oxan-3-yl]carbamate (PubChem CID 70913910) has the molecular formula C18H26N2O5 and a molecular weight of 350.42 g/mol. Its IUPAC name is benzyl N-[(3R,6S)-6-[2-methoxyethyl(methyl)carbamoyl]oxan-3-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(3R,6S)-6-[2-methoxyethyl(methyl)carbamoyl]oxan-3-yl]carbamate
PubChem CID70913910
Molecular FormulaC18H26N2O5
Molecular Weight350.42 g/mol
Exact Mass350.18
IUPAC Namebenzyl N-[(3R,6S)-6-[2-methoxyethyl(methyl)carbamoyl]oxan-3-yl]carbamate
SMILESCOCCN(C)C(=O)[C@@H]1CC[C@@H](NC(=O)OCc2ccccc2)CO1
InChIInChI=1S/C18H26N2O5/c1-20(10-11-23-2)17(21)16-9-8-15(13-24-16)19-18(22)25-12-14-6-4-3-5-7-14/h3-7,15-16H,8-13H2,1-2H3,(H,19,22)/t15-,16+/m1/s1
InChIKeyTVIBAFCTKOWWKP-CVEARBPZSA-N
XLogP1.57
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

benzyl N-[(3R,6S)-6-[ethyl(methyl)carbamoyl]oxan-3-yl]carbamate
CID 70913909
benzyl N-[(3R,6S)-6-[[(2-phenylmethoxyacetyl)amino]carbamoyl]oxan-3-yl]carbamate
CID 167005611
(2S,4S)-4-(phenylmethoxycarbonylamino)oxolane-2-carboxylic acid
CID 166000781
2-[methyl-[4-(phenylmethoxycarbonylamino)cyclohexyl]amino]acetic acid
CID 66563958
benzyl N-[(3S,4S)-3-methyloxan-4-yl]carbamate
CID 59735018
benzyl N-[(1S,3R)-3-hydroxycyclopentyl]carbamate;benzyl N-[(1R,3S)-3-hydroxycyclopentyl]carbamate
CID 138958096
[4-(phenylmethoxycarbonylamino)cyclohexyl]methylazanium
CID 86306720
benzyl N-[3,5-bis(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 102080822
benzyl N-[4-[[4-(phenylmethoxycarbonylamino)cyclohexyl]methyl]cyclohexyl]carbamate
CID 10345017
benzyl N-(4-iodocyclohexyl)carbamate
CID 66569099
benzyl N-cyclobutylcarbamate;carbonic acid
CID 66730699
benzyl N-(1-oxaspiro[2.5]octan-6-yl)carbamate
CID 15932630

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(3R,6S)-6-[2-methoxyethyl(methyl)carbamoyl]oxan-3-yl]carbamate?
The IUPAC name of benzyl N-[(3R,6S)-6-[2-methoxyethyl(methyl)carbamoyl]oxan-3-yl]carbamate (CID 70913910) is benzyl N-[(3R,6S)-6-[2-methoxyethyl(methyl)carbamoyl]oxan-3-yl]carbamate.
What is the SMILES notation for benzyl N-[(3R,6S)-6-[2-methoxyethyl(methyl)carbamoyl]oxan-3-yl]carbamate?
The canonical SMILES for benzyl N-[(3R,6S)-6-[2-methoxyethyl(methyl)carbamoyl]oxan-3-yl]carbamate is COCCN(C)C(=O)[C@@H]1CC[C@@H](NC(=O)OCc2ccccc2)CO1.
What is the InChIKey of benzyl N-[(3R,6S)-6-[2-methoxyethyl(methyl)carbamoyl]oxan-3-yl]carbamate?
The InChIKey is TVIBAFCTKOWWKP-CVEARBPZSA-N. The full InChI is InChI=1S/C18H26N2O5/c1-20(10-11-23-2)17(21)16-9-8-15(13-24-16)19-18(22)25-12-14-6-4-3-5-7-14/h3-7,15-16H,8-13H2,1-2H3,(H,19,22)/t15-,16+/m1/s1.
What are the key properties of benzyl N-[(3R,6S)-6-[2-methoxyethyl(methyl)carbamoyl]oxan-3-yl]carbamate?
benzyl N-[(3R,6S)-6-[2-methoxyethyl(methyl)carbamoyl]oxan-3-yl]carbamate has a molecular weight of 350.42 g/mol, XLogP of 1.57, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(3R,6S)-6-[2-methoxyethyl(methyl)carbamoyl]oxan-3-yl]carbamate is sourced from PubChem (CID 70913910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).