benzyl N-[[methyl(pyridin-2-ylmethyl)phosphoryl]methyl]carbamate

C16H19N2O3P — CID 59188796

IUPACbenzyl N-[[methyl(pyridin-2-ylmethyl)phosphoryl]methyl]carbamate
SMILESCP(=O)(CNC(=O)OCc1ccccc1)Cc1ccccn1
InChIInChI=1S/C16H19N2O3P/c1-22(20,12-15-9-5-6-10-17-15)13-18-16(19)21-11-14-7-3-2-4-8-14/h2-10H,11-13H2,1H3,(H,18,19)
InChIKeyOSDUAKHYMMEXAP-UHFFFAOYSA-N
MW318.31 g/mol
LogP3.46
Rot. Bonds6

About benzyl N-[[methyl(pyridin-2-ylmethyl)phosphoryl]methyl]carbamate

benzyl N-[[methyl(pyridin-2-ylmethyl)phosphoryl]methyl]carbamate (PubChem CID 59188796) has the molecular formula C16H19N2O3P and a molecular weight of 318.31 g/mol. Its IUPAC name is benzyl N-[[methyl(pyridin-2-ylmethyl)phosphoryl]methyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[[methyl(pyridin-2-ylmethyl)phosphoryl]methyl]carbamate
PubChem CID59188796
Molecular FormulaC16H19N2O3P
Molecular Weight318.31 g/mol
Exact Mass318.11
IUPAC Namebenzyl N-[[methyl(pyridin-2-ylmethyl)phosphoryl]methyl]carbamate
SMILESCP(=O)(CNC(=O)OCc1ccccc1)Cc1ccccn1
InChIInChI=1S/C16H19N2O3P/c1-22(20,12-15-9-5-6-10-17-15)13-18-16(19)21-11-14-7-3-2-4-8-14/h2-10H,11-13H2,1H3,(H,18,19)
InChIKeyOSDUAKHYMMEXAP-UHFFFAOYSA-N
XLogP3.46
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.31
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[4-(chloromethyl)phenyl]methyl N-(pyridin-2-ylmethyl)carbamate
CID 143186995
benzyl N-[(2S)-1-oxo-1-(2-pyridin-2-ylethylamino)propan-2-yl]carbamate
CID 18108915
2-(phenylmethoxycarbonylamino)-4-pyridin-2-ylbutanoic acid
CID 103666139
benzyl N-[(3S)-4-methyl-2-oxo-1-pyridin-2-ylpentan-3-yl]carbamate
CID 46702033
benzyl N-(phenylmethoxycarbonylaminomethyl)carbamate
CID 13001569
benzyl-[2-(phenylmethoxycarbonylamino)ethyl]phosphinic acid
CID 11659997
benzyl N-[(2S)-1-oxo-1-[(2-pyridin-2-ylacetyl)amino]propan-2-yl]carbamate
CID 70392835
benzyl N-[[4-(pyridin-2-ylcarbamoyl)phenyl]methyl]carbamate
CID 66870491
benzyl 2-methyl-3-(pyridin-2-ylmethylamino)propanoate
CID 106483896
methyl-[[4-(phenylmethoxycarbonylaminomethyl)-2-pyridinyl]sulfanylmethyl]phosphinic acid
CID 70829352
(3S)-3-(phenylmethoxycarbonylamino)-3-pyridin-2-ylpropanoic acid
CID 103667738
benzyl N-[[2-[2-[[1-oxo-1-(propan-2-ylamino)-3-pyridin-2-ylpropan-2-yl]carbamoyl]phenyl]phenyl]methyl]carbamate
CID 22978520

Frequently Asked Questions

What is the IUPAC name of benzyl N-[[methyl(pyridin-2-ylmethyl)phosphoryl]methyl]carbamate?
The IUPAC name of benzyl N-[[methyl(pyridin-2-ylmethyl)phosphoryl]methyl]carbamate (CID 59188796) is benzyl N-[[methyl(pyridin-2-ylmethyl)phosphoryl]methyl]carbamate.
What is the SMILES notation for benzyl N-[[methyl(pyridin-2-ylmethyl)phosphoryl]methyl]carbamate?
The canonical SMILES for benzyl N-[[methyl(pyridin-2-ylmethyl)phosphoryl]methyl]carbamate is CP(=O)(CNC(=O)OCc1ccccc1)Cc1ccccn1.
What is the InChIKey of benzyl N-[[methyl(pyridin-2-ylmethyl)phosphoryl]methyl]carbamate?
The InChIKey is OSDUAKHYMMEXAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N2O3P/c1-22(20,12-15-9-5-6-10-17-15)13-18-16(19)21-11-14-7-3-2-4-8-14/h2-10H,11-13H2,1H3,(H,18,19).
What are the key properties of benzyl N-[[methyl(pyridin-2-ylmethyl)phosphoryl]methyl]carbamate?
benzyl N-[[methyl(pyridin-2-ylmethyl)phosphoryl]methyl]carbamate has a molecular weight of 318.31 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[[methyl(pyridin-2-ylmethyl)phosphoryl]methyl]carbamate is sourced from PubChem (CID 59188796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).