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

C19H22N2O4 — CID 108572636

IUPACphenyl N-[2-[[2-(3,4-dimethylphenoxy)acetyl]amino]ethyl]carbamate
SMILESCc1ccc(OCC(=O)NCCNC(=O)Oc2ccccc2)cc1C
InChIInChI=1S/C19H22N2O4/c1-14-8-9-17(12-15(14)2)24-13-18(22)20-10-11-21-19(23)25-16-6-4-3-5-7-16/h3-9,12H,10-11,13H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyGBOFWOAOSITPMJ-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.59
Rot. Bonds7

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

phenyl N-[2-[[2-(3,4-dimethylphenoxy)acetyl]amino]ethyl]carbamate (PubChem CID 108572636) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is phenyl N-[2-[[2-(3,4-dimethylphenoxy)acetyl]amino]ethyl]carbamate.

Molecular Properties

Compound Namephenyl N-[2-[[2-(3,4-dimethylphenoxy)acetyl]amino]ethyl]carbamate
PubChem CID108572636
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC Namephenyl N-[2-[[2-(3,4-dimethylphenoxy)acetyl]amino]ethyl]carbamate
SMILESCc1ccc(OCC(=O)NCCNC(=O)Oc2ccccc2)cc1C
InChIInChI=1S/C19H22N2O4/c1-14-8-9-17(12-15(14)2)24-13-18(22)20-10-11-21-19(23)25-16-6-4-3-5-7-16/h3-9,12H,10-11,13H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyGBOFWOAOSITPMJ-UHFFFAOYSA-N
XLogP2.59
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.59
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

methyl N-[2-[[2-(3,4-dimethylphenoxy)acetyl]amino]ethyl]carbamate
CID 108572647
phenyl N-[2-[[2-(2,3,6-trimethylphenoxy)acetyl]amino]ethyl]carbamate
CID 108572762
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
tert-butyl N-[3-[2-[[2-(3,4-dimethylphenoxy)acetyl]amino]ethylamino]-3-oxopropyl]carbamate
CID 108919087
2-(3,4-dimethylphenoxy)-N-[2-[[2-(2,3-dimethylphenoxy)acetyl]amino]ethyl]acetamide
CID 108541272
2-(3,4-dimethylphenoxy)-N-[2-(methanesulfonamido)ethyl]acetamide
CID 36904254
2-(3,4-dimethylphenoxy)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 26777794
N-[2-(dimethylamino)ethyl]-2-(3,4-dimethylphenoxy)acetamide
CID 19165327
2-(3,4-dimethylphenoxy)-N-(3-methylbutyl)acetamide
CID 21368057
2-phenoxy-N-[2-(2,4,5-trimethylphenoxy)ethyl]acetamide
CID 113101233
2-(3,4-dimethylphenoxy)-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 112977913

Frequently Asked Questions

What is the IUPAC name of phenyl N-[2-[[2-(3,4-dimethylphenoxy)acetyl]amino]ethyl]carbamate?
The IUPAC name of phenyl N-[2-[[2-(3,4-dimethylphenoxy)acetyl]amino]ethyl]carbamate (CID 108572636) is phenyl N-[2-[[2-(3,4-dimethylphenoxy)acetyl]amino]ethyl]carbamate.
What is the SMILES notation for phenyl N-[2-[[2-(3,4-dimethylphenoxy)acetyl]amino]ethyl]carbamate?
The canonical SMILES for phenyl N-[2-[[2-(3,4-dimethylphenoxy)acetyl]amino]ethyl]carbamate is Cc1ccc(OCC(=O)NCCNC(=O)Oc2ccccc2)cc1C.
What is the InChIKey of phenyl N-[2-[[2-(3,4-dimethylphenoxy)acetyl]amino]ethyl]carbamate?
The InChIKey is GBOFWOAOSITPMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-14-8-9-17(12-15(14)2)24-13-18(22)20-10-11-21-19(23)25-16-6-4-3-5-7-16/h3-9,12H,10-11,13H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of phenyl N-[2-[[2-(3,4-dimethylphenoxy)acetyl]amino]ethyl]carbamate?
phenyl N-[2-[[2-(3,4-dimethylphenoxy)acetyl]amino]ethyl]carbamate has a molecular weight of 342.40 g/mol, XLogP of 2.59, 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-(3,4-dimethylphenoxy)acetyl]amino]ethyl]carbamate is sourced from PubChem (CID 108572636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).