methyl N-[2-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]carbamate

C12H15ClN2O4 — CID 108573294

IUPACmethyl N-[2-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]carbamate
SMILESCOC(=O)NCCNC(=O)COc1ccc(Cl)cc1
InChIInChI=1S/C12H15ClN2O4/c1-18-12(17)15-7-6-14-11(16)8-19-10-4-2-9(13)3-5-10/h2-5H,6-8H2,1H3,(H,14,16)(H,15,17)
InChIKeyYZNDHNTUDRHNHJ-UHFFFAOYSA-N
MW286.72 g/mol
LogP1.19
Rot. Bonds6

About methyl N-[2-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]carbamate

methyl N-[2-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]carbamate (PubChem CID 108573294) has the molecular formula C12H15ClN2O4 and a molecular weight of 286.72 g/mol. Its IUPAC name is methyl N-[2-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]carbamate
PubChem CID108573294
Molecular FormulaC12H15ClN2O4
Molecular Weight286.72 g/mol
Exact Mass286.07
IUPAC Namemethyl N-[2-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]carbamate
SMILESCOC(=O)NCCNC(=O)COc1ccc(Cl)cc1
InChIInChI=1S/C12H15ClN2O4/c1-18-12(17)15-7-6-14-11(16)8-19-10-4-2-9(13)3-5-10/h2-5H,6-8H2,1H3,(H,14,16)(H,15,17)
InChIKeyYZNDHNTUDRHNHJ-UHFFFAOYSA-N
XLogP1.19
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.72
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-chlorophenoxy)-N-[2-(propylamino)ethyl]acetamide
CID 62658790
methyl N-[2-[[2-(3,4-dimethylphenoxy)acetyl]amino]ethyl]carbamate
CID 108572647
3,6-dichloro-N-[2-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]-2-methoxybenzamide
CID 108573308
2-(4-chlorophenoxy)-N-[2-(diethylcarbamoylamino)ethyl]acetamide
CID 108573295
N-(4-chlorobutyl)-2-(4-chlorophenoxy)acetamide
CID 106845414
N-[2-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]-2-cyanoacetamide
CID 108537322
3-chloro-N-[2-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]-2,2-dimethylpropanamide
CID 108573287
2-(4-chlorophenoxy)-N-[2-(2-hydroxypropylamino)ethyl]acetamide
CID 104593764
methyl 6-[[2-(4-chlorophenoxy)acetyl]amino]hexanoate
CID 43404589
N-[2-(4-chlorophenyl)ethyl]-2-(4-methylphenoxy)acetamide
CID 2632440
2-(4-chlorophenoxy)-N-[(dimethylamino)methyl]acetamide
CID 15013175
N-(3-amino-4-methylpent-3-enyl)-2-(4-chlorophenoxy)acetamide
CID 137400318

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]carbamate?
The IUPAC name of methyl N-[2-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]carbamate (CID 108573294) is methyl N-[2-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]carbamate.
What is the SMILES notation for methyl N-[2-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]carbamate?
The canonical SMILES for methyl N-[2-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]carbamate is COC(=O)NCCNC(=O)COc1ccc(Cl)cc1.
What is the InChIKey of methyl N-[2-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]carbamate?
The InChIKey is YZNDHNTUDRHNHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O4/c1-18-12(17)15-7-6-14-11(16)8-19-10-4-2-9(13)3-5-10/h2-5H,6-8H2,1H3,(H,14,16)(H,15,17).
What are the key properties of methyl N-[2-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]carbamate?
methyl N-[2-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]carbamate has a molecular weight of 286.72 g/mol, XLogP of 1.19, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]carbamate is sourced from PubChem (CID 108573294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).