benzyl N-[2-[methoxy(methyl)amino]-2-oxoethyl]carbamate

C12H16N2O4 — CID 10060751

IUPACbenzyl N-[2-[methoxy(methyl)amino]-2-oxoethyl]carbamate
SMILESCON(C)C(=O)CNC(=O)OCc1ccccc1
InChIInChI=1S/C12H16N2O4/c1-14(17-2)11(15)8-13-12(16)18-9-10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3,(H,13,16)
InChIKeyNWYPLKICSHBTAJ-UHFFFAOYSA-N
MW252.27 g/mol
LogP0.93
Rot. Bonds5

About benzyl N-[2-[methoxy(methyl)amino]-2-oxoethyl]carbamate

benzyl N-[2-[methoxy(methyl)amino]-2-oxoethyl]carbamate (PubChem CID 10060751) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is benzyl N-[2-[methoxy(methyl)amino]-2-oxoethyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[2-[methoxy(methyl)amino]-2-oxoethyl]carbamate
PubChem CID10060751
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC Namebenzyl N-[2-[methoxy(methyl)amino]-2-oxoethyl]carbamate
SMILESCON(C)C(=O)CNC(=O)OCc1ccccc1
InChIInChI=1S/C12H16N2O4/c1-14(17-2)11(15)8-13-12(16)18-9-10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3,(H,13,16)
InChIKeyNWYPLKICSHBTAJ-UHFFFAOYSA-N
XLogP0.93
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Benzyloxycarbonylglycine
CID 14349
Benzyl Cyanomethylcarbamate
CID 244143
Benzyl piperazine-1-carboxylate
CID 643495
Benzyl (2-oxopropyl)carbamate
CID 22747857
Benzyl 3-oxopiperazine-1-carboxylate
CID 736777
Carbobenzoxyglycylglycine
CID 95686
benzyl N-methylcarbamate
CID 562265
Methyl 3-methyl-2-[2-(phenylmethoxycarbonylamino)propanoylamino]butanoate
CID 294932
Methyl 2-(2-{[(benzyloxy)carbonyl]amino}-3-methylbutanamido)acetate
CID 4432220
Methyl 2-(2-(((benzyloxy)carbonyl)amino)acetamido)acetate
CID 297850
Benzyl (tert-butoxycarbonyl)glycylglycinate
CID 3244524
Benzyl (hydrazinocarbonylmethyl)carbamate
CID 72771

Frequently Asked Questions

What is the IUPAC name of benzyl N-[2-[methoxy(methyl)amino]-2-oxoethyl]carbamate?
The IUPAC name of benzyl N-[2-[methoxy(methyl)amino]-2-oxoethyl]carbamate (CID 10060751) is benzyl N-[2-[methoxy(methyl)amino]-2-oxoethyl]carbamate.
What is the SMILES notation for benzyl N-[2-[methoxy(methyl)amino]-2-oxoethyl]carbamate?
The canonical SMILES for benzyl N-[2-[methoxy(methyl)amino]-2-oxoethyl]carbamate is CON(C)C(=O)CNC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[2-[methoxy(methyl)amino]-2-oxoethyl]carbamate?
The InChIKey is NWYPLKICSHBTAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4/c1-14(17-2)11(15)8-13-12(16)18-9-10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3,(H,13,16).
What are the key properties of benzyl N-[2-[methoxy(methyl)amino]-2-oxoethyl]carbamate?
benzyl N-[2-[methoxy(methyl)amino]-2-oxoethyl]carbamate has a molecular weight of 252.27 g/mol, XLogP of 0.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[2-[methoxy(methyl)amino]-2-oxoethyl]carbamate is sourced from PubChem (CID 10060751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).