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

C17H24N2O4 — CID 70913909

IUPACbenzyl N-[(3R,6S)-6-[ethyl(methyl)carbamoyl]oxan-3-yl]carbamate
SMILESCCN(C)C(=O)[C@@H]1CC[C@@H](NC(=O)OCc2ccccc2)CO1
InChIInChI=1S/C17H24N2O4/c1-3-19(2)16(20)15-10-9-14(12-22-15)18-17(21)23-11-13-7-5-4-6-8-13/h4-8,14-15H,3,9-12H2,1-2H3,(H,18,21)/t14-,15+/m1/s1
InChIKeyKEVATPRCNGMNJE-CABCVRRESA-N
MW320.39 g/mol
LogP1.94
Rot. Bonds5

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

benzyl N-[(3R,6S)-6-[ethyl(methyl)carbamoyl]oxan-3-yl]carbamate (PubChem CID 70913909) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is benzyl N-[(3R,6S)-6-[ethyl(methyl)carbamoyl]oxan-3-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(3R,6S)-6-[ethyl(methyl)carbamoyl]oxan-3-yl]carbamate
PubChem CID70913909
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC Namebenzyl N-[(3R,6S)-6-[ethyl(methyl)carbamoyl]oxan-3-yl]carbamate
SMILESCCN(C)C(=O)[C@@H]1CC[C@@H](NC(=O)OCc2ccccc2)CO1
InChIInChI=1S/C17H24N2O4/c1-3-19(2)16(20)15-10-9-14(12-22-15)18-17(21)23-11-13-7-5-4-6-8-13/h4-8,14-15H,3,9-12H2,1-2H3,(H,18,21)/t14-,15+/m1/s1
InChIKeyKEVATPRCNGMNJE-CABCVRRESA-N
XLogP1.94
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl N-[(3R,6S)-6-[2-methoxyethyl(methyl)carbamoyl]oxan-3-yl]carbamate
CID 70913910
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-(4-carbamoylcyclohexyl)carbamate;N,N-diethylethanamine
CID 157386360
benzyl N-[(1S,3R)-3-hydroxycyclopentyl]carbamate;benzyl N-[(1R,3S)-3-hydroxycyclopentyl]carbamate
CID 138958096
benzyl N-(4-propylcyclohexyl)carbamate
CID 130580975
[4-(phenylmethoxycarbonylamino)cyclohexyl]methylazanium
CID 86306720
benzyl N-[3,5-bis(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 102080822
benzyl N-[4-[ethyl(2-hydroxyethyl)amino]cyclohexyl]carbamate
CID 66564308
benzyl N-[(3S,4S)-3-methyloxan-4-yl]carbamate
CID 59735018
benzyl N-(4-iodocyclohexyl)carbamate
CID 66569099

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(3R,6S)-6-[ethyl(methyl)carbamoyl]oxan-3-yl]carbamate?
The IUPAC name of benzyl N-[(3R,6S)-6-[ethyl(methyl)carbamoyl]oxan-3-yl]carbamate (CID 70913909) is benzyl N-[(3R,6S)-6-[ethyl(methyl)carbamoyl]oxan-3-yl]carbamate.
What is the SMILES notation for benzyl N-[(3R,6S)-6-[ethyl(methyl)carbamoyl]oxan-3-yl]carbamate?
The canonical SMILES for benzyl N-[(3R,6S)-6-[ethyl(methyl)carbamoyl]oxan-3-yl]carbamate is CCN(C)C(=O)[C@@H]1CC[C@@H](NC(=O)OCc2ccccc2)CO1.
What is the InChIKey of benzyl N-[(3R,6S)-6-[ethyl(methyl)carbamoyl]oxan-3-yl]carbamate?
The InChIKey is KEVATPRCNGMNJE-CABCVRRESA-N. The full InChI is InChI=1S/C17H24N2O4/c1-3-19(2)16(20)15-10-9-14(12-22-15)18-17(21)23-11-13-7-5-4-6-8-13/h4-8,14-15H,3,9-12H2,1-2H3,(H,18,21)/t14-,15+/m1/s1.
What are the key properties of benzyl N-[(3R,6S)-6-[ethyl(methyl)carbamoyl]oxan-3-yl]carbamate?
benzyl N-[(3R,6S)-6-[ethyl(methyl)carbamoyl]oxan-3-yl]carbamate has a molecular weight of 320.39 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(3R,6S)-6-[ethyl(methyl)carbamoyl]oxan-3-yl]carbamate is sourced from PubChem (CID 70913909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).