benzyl N-(methoxymethoxymethylcarbamoyl)carbamate

C12H16N2O5 — CID 69094371

IUPACbenzyl N-(methoxymethoxymethylcarbamoyl)carbamate
SMILESCOCOCNC(=O)NC(=O)OCc1ccccc1
InChIInChI=1S/C12H16N2O5/c1-17-9-18-8-13-11(15)14-12(16)19-7-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3,(H2,13,14,15,16)
InChIKeyMTMLORSRQOAVOM-UHFFFAOYSA-N
MW268.27 g/mol
LogP1.20
Rot. Bonds6

About benzyl N-(methoxymethoxymethylcarbamoyl)carbamate

benzyl N-(methoxymethoxymethylcarbamoyl)carbamate (PubChem CID 69094371) has the molecular formula C12H16N2O5 and a molecular weight of 268.27 g/mol. Its IUPAC name is benzyl N-(methoxymethoxymethylcarbamoyl)carbamate.

Molecular Properties

Compound Namebenzyl N-(methoxymethoxymethylcarbamoyl)carbamate
PubChem CID69094371
Molecular FormulaC12H16N2O5
Molecular Weight268.27 g/mol
Exact Mass268.11
IUPAC Namebenzyl N-(methoxymethoxymethylcarbamoyl)carbamate
SMILESCOCOCNC(=O)NC(=O)OCc1ccccc1
InChIInChI=1S/C12H16N2O5/c1-17-9-18-8-13-11(15)14-12(16)19-7-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3,(H2,13,14,15,16)
InChIKeyMTMLORSRQOAVOM-UHFFFAOYSA-N
XLogP1.20
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

benzyl N-[(2S)-2-amino-3-(methoxymethoxy)propanoyl]carbamate
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benzyl N-(methoxycarbonylamino)carbamate
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benzyl N-[5-(methoxymethoxy)-2-methylpentan-2-yl]carbamate
CID 57386791
benzyl N-(phenylmethoxycarbonylaminomethyl)carbamate
CID 13001569
benzyl N-(C-methoxycarbonimidoyl)carbamate
CID 139267837
benzyl N-[3-(methoxymethoxy)butyl]carbamate
CID 173199640
2-(phenylmethoxycarbonylamino)prop-2-enoic acid
CID 4674477
benzyl N-carbamothioylcarbamate
CID 23366039
benzyl N-[2-(methylamino)-3-(phenylmethoxycarbonylamino)propyl]carbamate
CID 59366972
benzyl N-(2-methylprop-2-enoyl)carbamate
CID 11321946
benzyl N-(2-aminopropanoyl)carbamate
CID 54205140
benzyl N-[(E)-4-oxopent-2-en-3-yl]carbamate
CID 58214768

Frequently Asked Questions

What is the IUPAC name of benzyl N-(methoxymethoxymethylcarbamoyl)carbamate?
The IUPAC name of benzyl N-(methoxymethoxymethylcarbamoyl)carbamate (CID 69094371) is benzyl N-(methoxymethoxymethylcarbamoyl)carbamate.
What is the SMILES notation for benzyl N-(methoxymethoxymethylcarbamoyl)carbamate?
The canonical SMILES for benzyl N-(methoxymethoxymethylcarbamoyl)carbamate is COCOCNC(=O)NC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-(methoxymethoxymethylcarbamoyl)carbamate?
The InChIKey is MTMLORSRQOAVOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O5/c1-17-9-18-8-13-11(15)14-12(16)19-7-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3,(H2,13,14,15,16).
What are the key properties of benzyl N-(methoxymethoxymethylcarbamoyl)carbamate?
benzyl N-(methoxymethoxymethylcarbamoyl)carbamate has a molecular weight of 268.27 g/mol, XLogP of 1.20, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(methoxymethoxymethylcarbamoyl)carbamate is sourced from PubChem (CID 69094371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).