phenyl N-[2-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]ethyl]carbamate

C20H24N2O4 — CID 108572762

IUPACphenyl N-[2-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]ethyl]carbamate
SMILESCc1ccc(C)c(OCC(=O)NCCNC(=O)Oc2ccccc2)c1C
InChIInChI=1S/C20H24N2O4/c1-14-9-10-15(2)19(16(14)3)25-13-18(23)21-11-12-22-20(24)26-17-7-5-4-6-8-17/h4-10H,11-13H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyXVYJIDAIPKDQCJ-UHFFFAOYSA-N
MW356.42 g/mol
LogP2.90
Rot. Bonds7

About phenyl N-[2-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]ethyl]carbamate

phenyl N-[2-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]ethyl]carbamate (PubChem CID 108572762) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is phenyl N-[2-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]ethyl]carbamate.

Molecular Properties

Compound Namephenyl N-[2-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]ethyl]carbamate
PubChem CID108572762
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Namephenyl N-[2-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]ethyl]carbamate
SMILESCc1ccc(C)c(OCC(=O)NCCNC(=O)Oc2ccccc2)c1C
InChIInChI=1S/C20H24N2O4/c1-14-9-10-15(2)19(16(14)3)25-13-18(23)21-11-12-22-20(24)26-17-7-5-4-6-8-17/h4-10H,11-13H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyXVYJIDAIPKDQCJ-UHFFFAOYSA-N
XLogP2.90
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 52.90
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
N-[2-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]ethyl]butanamide
CID 108572761
tert-butyl N-[3-oxo-3-[2-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]ethylamino]propyl]carbamate
CID 108919090
2-thiophen-2-yl-N-[2-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]ethyl]acetamide
CID 108541512
N-[2-(2-methoxyphenyl)ethyl]-2-(2,3,6-trimethylphenoxy)acetamide
CID 112977943
2-(2-methoxyphenoxy)-N-[2-(2,3,6-trimethylphenoxy)ethyl]acetamide
CID 113101132
phenyl 4-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]piperidine-1-carboxylate
CID 108560995
phenyl N-[2-[3-(4-methylphenyl)propanoylamino]ethyl]carbamate
CID 108574231
2-(4-methylphenoxy)-N-[2-(2,3,6-trimethylphenoxy)ethyl]acetamide
CID 113101131
N-[2-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]ethyl]cyclohexanecarboxamide
CID 108538932
2-(4-chlorophenoxy)-N-[2-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]ethyl]propanamide
CID 108541454
2-phenyl-N-[2-(2,3,6-trimethylphenoxy)ethyl]acetamide
CID 113101115

Frequently Asked Questions

What is the IUPAC name of phenyl N-[2-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]ethyl]carbamate?
The IUPAC name of phenyl N-[2-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]ethyl]carbamate (CID 108572762) is phenyl N-[2-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]ethyl]carbamate.
What is the SMILES notation for phenyl N-[2-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]ethyl]carbamate?
The canonical SMILES for phenyl N-[2-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]ethyl]carbamate is Cc1ccc(C)c(OCC(=O)NCCNC(=O)Oc2ccccc2)c1C.
What is the InChIKey of phenyl N-[2-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]ethyl]carbamate?
The InChIKey is XVYJIDAIPKDQCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-14-9-10-15(2)19(16(14)3)25-13-18(23)21-11-12-22-20(24)26-17-7-5-4-6-8-17/h4-10H,11-13H2,1-3H3,(H,21,23)(H,22,24).
What are the key properties of phenyl N-[2-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]ethyl]carbamate?
phenyl N-[2-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]ethyl]carbamate has a molecular weight of 356.42 g/mol, XLogP of 2.90, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[2-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]ethyl]carbamate is sourced from PubChem (CID 108572762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).