methyl N-[2-[[2-(3,4-dimethylphenoxy)acetyl]amino]ethyl]carbamate

C14H20N2O4 — CID 108572647

IUPACmethyl N-[2-[[2-(3,4-dimethylphenoxy)acetyl]amino]ethyl]carbamate
SMILESCOC(=O)NCCNC(=O)COc1ccc(C)c(C)c1
InChIInChI=1S/C14H20N2O4/c1-10-4-5-12(8-11(10)2)20-9-13(17)15-6-7-16-14(18)19-3/h4-5,8H,6-7,9H2,1-3H3,(H,15,17)(H,16,18)
InChIKeyYRCDGJFVJPMXHS-UHFFFAOYSA-N
MW280.32 g/mol
LogP1.15
Rot. Bonds6

About methyl N-[2-[[2-(3,4-dimethylphenoxy)acetyl]amino]ethyl]carbamate

methyl N-[2-[[2-(3,4-dimethylphenoxy)acetyl]amino]ethyl]carbamate (PubChem CID 108572647) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is methyl N-[2-[[2-(3,4-dimethylphenoxy)acetyl]amino]ethyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-[[2-(3,4-dimethylphenoxy)acetyl]amino]ethyl]carbamate
PubChem CID108572647
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Namemethyl N-[2-[[2-(3,4-dimethylphenoxy)acetyl]amino]ethyl]carbamate
SMILESCOC(=O)NCCNC(=O)COc1ccc(C)c(C)c1
InChIInChI=1S/C14H20N2O4/c1-10-4-5-12(8-11(10)2)20-9-13(17)15-6-7-16-14(18)19-3/h4-5,8H,6-7,9H2,1-3H3,(H,15,17)(H,16,18)
InChIKeyYRCDGJFVJPMXHS-UHFFFAOYSA-N
XLogP1.15
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.15
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

phenyl N-[2-[[2-(3,4-dimethylphenoxy)acetyl]amino]ethyl]carbamate
CID 108572636
tert-butyl N-[3-[2-[[2-(3,4-dimethylphenoxy)acetyl]amino]ethylamino]-3-oxopropyl]carbamate
CID 108919087
2-(3,4-dimethylphenoxy)-N-[8-[[2-(3,4-dimethylphenoxy)acetyl]amino]octyl]acetamide
CID 17233359
2-chloroethyl N-[2-[[2-(3,4-dimethylphenoxy)acetyl]amino]ethyl]carbamate
CID 108572652
2-(3,4-dimethylphenoxy)-N-[2-(methanesulfonamido)ethyl]acetamide
CID 36904254
2-(3,4-dimethylphenoxy)-N-(3-methylbutyl)acetamide
CID 21368057
N-[2-(dimethylamino)ethyl]-2-(3,4-dimethylphenoxy)acetamide
CID 19165327
methyl N-[2-[[2-(4-chlorophenoxy)acetyl]amino]ethyl]carbamate
CID 108573294
2-(4-chlorophenyl)-N-[2-[[2-(3,4-dimethylphenoxy)acetyl]amino]ethyl]acetamide
CID 108572637
2-(3,4-dimethylphenoxy)-N-[2-[[2-(2,3-dimethylphenoxy)acetyl]amino]ethyl]acetamide
CID 108541272
2-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-methylacetamide
CID 17404287
2-(3,4-dimethylphenoxy)-N-[2-(3,5-dimethylphenoxy)ethyl]acetamide
CID 19174002

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-[[2-(3,4-dimethylphenoxy)acetyl]amino]ethyl]carbamate?
The IUPAC name of methyl N-[2-[[2-(3,4-dimethylphenoxy)acetyl]amino]ethyl]carbamate (CID 108572647) is methyl N-[2-[[2-(3,4-dimethylphenoxy)acetyl]amino]ethyl]carbamate.
What is the SMILES notation for methyl N-[2-[[2-(3,4-dimethylphenoxy)acetyl]amino]ethyl]carbamate?
The canonical SMILES for methyl N-[2-[[2-(3,4-dimethylphenoxy)acetyl]amino]ethyl]carbamate is COC(=O)NCCNC(=O)COc1ccc(C)c(C)c1.
What is the InChIKey of methyl N-[2-[[2-(3,4-dimethylphenoxy)acetyl]amino]ethyl]carbamate?
The InChIKey is YRCDGJFVJPMXHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-10-4-5-12(8-11(10)2)20-9-13(17)15-6-7-16-14(18)19-3/h4-5,8H,6-7,9H2,1-3H3,(H,15,17)(H,16,18).
What are the key properties of methyl N-[2-[[2-(3,4-dimethylphenoxy)acetyl]amino]ethyl]carbamate?
methyl N-[2-[[2-(3,4-dimethylphenoxy)acetyl]amino]ethyl]carbamate has a molecular weight of 280.32 g/mol, XLogP of 1.15, 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-(3,4-dimethylphenoxy)acetyl]amino]ethyl]carbamate is sourced from PubChem (CID 108572647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).