ethyl N-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]carbamate

C13H18N2O4 — CID 112992730

IUPACethyl N-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]carbamate
SMILESCCOC(=O)NCC(=O)NCc1ccccc1OC
InChIInChI=1S/C13H18N2O4/c1-3-19-13(17)15-9-12(16)14-8-10-6-4-5-7-11(10)18-2/h4-7H,3,8-9H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyBZYLRUOSOBNFFF-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.06
Rot. Bonds6

About ethyl N-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]carbamate

ethyl N-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]carbamate (PubChem CID 112992730) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is ethyl N-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]carbamate
PubChem CID112992730
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Nameethyl N-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]carbamate
SMILESCCOC(=O)NCC(=O)NCc1ccccc1OC
InChIInChI=1S/C13H18N2O4/c1-3-19-13(17)15-9-12(16)14-8-10-6-4-5-7-11(10)18-2/h4-7H,3,8-9H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyBZYLRUOSOBNFFF-UHFFFAOYSA-N
XLogP1.06
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-methoxyphenyl)methylamino]-N-[(2-methylphenyl)methyl]acetamide
CID 108996645
2-anilino-N-[(2-methoxyphenyl)methyl]acetamide
CID 60646954
2-(tert-butylamino)-N-[(2-methoxyphenyl)methyl]acetamide
CID 78907392
N-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-3,4-dimethylbenzamide
CID 9246288
2-diethoxyphosphoryl-N-[(2-methoxyphenyl)methyl]acetamide
CID 141034258
ethyl 4-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]piperazine-1-carboxylate
CID 8932090
2-[(2-ethoxyphenyl)methylsulfonylamino]-N-[(2-methoxyphenyl)methyl]acetamide
CID 22300640
2-(2-ethylphenoxy)-N-[(2-methoxyphenyl)methyl]acetamide
CID 2709267
ethyl N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]carbamate
CID 110445074
N-[(2-chlorophenyl)methyl]-2-[(2-methoxyphenyl)methylamino]acetamide
CID 108998011
2-[(4-fluorophenyl)methylcarbamoylamino]-N-[(2-methoxyphenyl)methyl]acetamide
CID 18159108
2-[[2-[[2-(2-methoxyphenyl)acetyl]amino]acetyl]amino]acetic acid
CID 43387619

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]carbamate?
The IUPAC name of ethyl N-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]carbamate (CID 112992730) is ethyl N-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]carbamate.
What is the SMILES notation for ethyl N-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]carbamate?
The canonical SMILES for ethyl N-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]carbamate is CCOC(=O)NCC(=O)NCc1ccccc1OC.
What is the InChIKey of ethyl N-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]carbamate?
The InChIKey is BZYLRUOSOBNFFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-3-19-13(17)15-9-12(16)14-8-10-6-4-5-7-11(10)18-2/h4-7H,3,8-9H2,1-2H3,(H,14,16)(H,15,17).
What are the key properties of ethyl N-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]carbamate?
ethyl N-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]carbamate has a molecular weight of 266.30 g/mol, XLogP of 1.06, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]carbamate is sourced from PubChem (CID 112992730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).