benzyl N-[(R)-cyclohexyl(dimethoxyphosphoryl)methyl]carbamate

C17H26NO5P — CID 102392968

IUPACbenzyl N-[(R)-cyclohexyl(dimethoxyphosphoryl)methyl]carbamate
SMILESCOP(=O)(OC)[C@@H](NC(=O)OCc1ccccc1)C1CCCCC1
InChIInChI=1S/C17H26NO5P/c1-21-24(20,22-2)16(15-11-7-4-8-12-15)18-17(19)23-13-14-9-5-3-6-10-14/h3,5-6,9-10,15-16H,4,7-8,11-13H2,1-2H3,(H,18,19)/t16-/m1/s1
InChIKeyMEKMDAMQONNHRL-MRXNPFEDSA-N
MW355.37 g/mol
LogP4.31
Rot. Bonds7

About benzyl N-[(R)-cyclohexyl(dimethoxyphosphoryl)methyl]carbamate

benzyl N-[(R)-cyclohexyl(dimethoxyphosphoryl)methyl]carbamate (PubChem CID 102392968) has the molecular formula C17H26NO5P and a molecular weight of 355.37 g/mol. Its IUPAC name is benzyl N-[(R)-cyclohexyl(dimethoxyphosphoryl)methyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(R)-cyclohexyl(dimethoxyphosphoryl)methyl]carbamate
PubChem CID102392968
Molecular FormulaC17H26NO5P
Molecular Weight355.37 g/mol
Exact Mass355.15
IUPAC Namebenzyl N-[(R)-cyclohexyl(dimethoxyphosphoryl)methyl]carbamate
SMILESCOP(=O)(OC)[C@@H](NC(=O)OCc1ccccc1)C1CCCCC1
InChIInChI=1S/C17H26NO5P/c1-21-24(20,22-2)16(15-11-7-4-8-12-15)18-17(19)23-13-14-9-5-3-6-10-14/h3,5-6,9-10,15-16H,4,7-8,11-13H2,1-2H3,(H,18,19)/t16-/m1/s1
InChIKeyMEKMDAMQONNHRL-MRXNPFEDSA-N
XLogP4.31
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.37
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

methyl 2-dimethoxyphosphoryl-2-(phenylmethoxycarbonylamino)acetate
CID 2734718
benzyl N-[(1S)-1-dimethoxyphosphorylpropyl]carbamate
CID 101044856
[2-cyclohexyl-1-(phenylmethoxycarbonylamino)ethyl]-(2-methoxy-2-oxoethyl)phosphinic acid
CID 70426731
benzyl N-(1-dimethoxyphosphoryl-2-oxo-2-phenylethyl)carbamate
CID 102190004
benzyl N-[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl]carbamate
CID 18108659
benzyl N-[(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl]carbamate
CID 39958646
benzyl N-(1-dimethoxyphosphoryl-2-oxobutyl)carbamate
CID 59913356
methyl 2-[[(2S)-2-cyclohexyl-2-(phenylmethoxycarbonylamino)ethyl]amino]acetate
CID 66684480
(3S)-3-cyclobutyl-3-(phenylmethoxycarbonylamino)propanoic acid
CID 93481085
(2S)-3-cyclobutyl-2-(phenylmethoxycarbonylamino)propanoic acid
CID 129372179
benzyl N-[(1S)-1-cyclopropyl-2-methoxyethyl]carbamate
CID 59178384
benzyl N-[1-(cyclopentylamino)-1-oxopropan-2-yl]carbamate
CID 42885017

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(R)-cyclohexyl(dimethoxyphosphoryl)methyl]carbamate?
The IUPAC name of benzyl N-[(R)-cyclohexyl(dimethoxyphosphoryl)methyl]carbamate (CID 102392968) is benzyl N-[(R)-cyclohexyl(dimethoxyphosphoryl)methyl]carbamate.
What is the SMILES notation for benzyl N-[(R)-cyclohexyl(dimethoxyphosphoryl)methyl]carbamate?
The canonical SMILES for benzyl N-[(R)-cyclohexyl(dimethoxyphosphoryl)methyl]carbamate is COP(=O)(OC)[C@@H](NC(=O)OCc1ccccc1)C1CCCCC1.
What is the InChIKey of benzyl N-[(R)-cyclohexyl(dimethoxyphosphoryl)methyl]carbamate?
The InChIKey is MEKMDAMQONNHRL-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H26NO5P/c1-21-24(20,22-2)16(15-11-7-4-8-12-15)18-17(19)23-13-14-9-5-3-6-10-14/h3,5-6,9-10,15-16H,4,7-8,11-13H2,1-2H3,(H,18,19)/t16-/m1/s1.
What are the key properties of benzyl N-[(R)-cyclohexyl(dimethoxyphosphoryl)methyl]carbamate?
benzyl N-[(R)-cyclohexyl(dimethoxyphosphoryl)methyl]carbamate has a molecular weight of 355.37 g/mol, XLogP of 4.31, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(R)-cyclohexyl(dimethoxyphosphoryl)methyl]carbamate is sourced from PubChem (CID 102392968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).