2-(N-ethyl-3-methoxyanilino)ethyl (2-methylphenyl) carbonate

C19H23NO4 — CID 54399203

IUPAC2-(N-ethyl-3-methoxyanilino)ethyl (2-methylphenyl) carbonate
SMILESCCN(CCOC(=O)Oc1ccccc1C)c1cccc(OC)c1
InChIInChI=1S/C19H23NO4/c1-4-20(16-9-7-10-17(14-16)22-3)12-13-23-19(21)24-18-11-6-5-8-15(18)2/h5-11,14H,4,12-13H2,1-3H3
InChIKeyVMEUMDNIERHOTR-UHFFFAOYSA-N
MW329.40 g/mol
LogP4.05
Rot. Bonds7

About 2-(N-ethyl-3-methoxyanilino)ethyl (2-methylphenyl) carbonate

2-(N-ethyl-3-methoxyanilino)ethyl (2-methylphenyl) carbonate (PubChem CID 54399203) has the molecular formula C19H23NO4 and a molecular weight of 329.40 g/mol. Its IUPAC name is 2-(N-ethyl-3-methoxyanilino)ethyl (2-methylphenyl) carbonate.

Molecular Properties

Compound Name2-(N-ethyl-3-methoxyanilino)ethyl (2-methylphenyl) carbonate
PubChem CID54399203
Molecular FormulaC19H23NO4
Molecular Weight329.40 g/mol
Exact Mass329.16
IUPAC Name2-(N-ethyl-3-methoxyanilino)ethyl (2-methylphenyl) carbonate
SMILESCCN(CCOC(=O)Oc1ccccc1C)c1cccc(OC)c1
InChIInChI=1S/C19H23NO4/c1-4-20(16-9-7-10-17(14-16)22-3)12-13-23-19(21)24-18-11-6-5-8-15(18)2/h5-11,14H,4,12-13H2,1-3H3
InChIKeyVMEUMDNIERHOTR-UHFFFAOYSA-N
XLogP4.05
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(3-chloro-N-ethylanilino)ethyl (3-chlorophenyl) carbonate
CID 54060935
N-ethyl-3-methoxy-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]aniline
CID 156571603
2-[3-[butyl(ethyl)amino]phenoxy]ethyl phenyl carbonate
CID 70632027
N-ethyl-3-methyl-N-[2-(2-methylphenoxy)ethyl]aniline
CID 54163306
2-(N-butyl-3-ethoxyanilino)ethyl phenyl carbonate
CID 54526782
2-[3-methoxy-N-(2,2,2-trifluoroethyl)anilino]ethyl acetate
CID 70633501
2-(N-ethylanilino)ethyl (2,3,4,5,6-pentachlorophenyl) carbonate
CID 54337521
2-(N-ethylanilino)ethyl (2,4,6-trichlorophenyl) carbonate
CID 54390500
N-[2-(2,5-dichlorophenoxy)ethyl]-N-ethyl-3-methoxyaniline
CID 54550055
3-(N-ethyl-3-methoxyanilino)propanenitrile
CID 53425340
2-(N-ethylanilino)ethyl N-(4-methoxyphenyl)carbamate
CID 4658360
3-methoxy-N,N-bis[2-(2-methoxyethoxy)ethyl]aniline
CID 156565420

Frequently Asked Questions

What is the IUPAC name of 2-(N-ethyl-3-methoxyanilino)ethyl (2-methylphenyl) carbonate?
The IUPAC name of 2-(N-ethyl-3-methoxyanilino)ethyl (2-methylphenyl) carbonate (CID 54399203) is 2-(N-ethyl-3-methoxyanilino)ethyl (2-methylphenyl) carbonate.
What is the SMILES notation for 2-(N-ethyl-3-methoxyanilino)ethyl (2-methylphenyl) carbonate?
The canonical SMILES for 2-(N-ethyl-3-methoxyanilino)ethyl (2-methylphenyl) carbonate is CCN(CCOC(=O)Oc1ccccc1C)c1cccc(OC)c1.
What is the InChIKey of 2-(N-ethyl-3-methoxyanilino)ethyl (2-methylphenyl) carbonate?
The InChIKey is VMEUMDNIERHOTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO4/c1-4-20(16-9-7-10-17(14-16)22-3)12-13-23-19(21)24-18-11-6-5-8-15(18)2/h5-11,14H,4,12-13H2,1-3H3.
What are the key properties of 2-(N-ethyl-3-methoxyanilino)ethyl (2-methylphenyl) carbonate?
2-(N-ethyl-3-methoxyanilino)ethyl (2-methylphenyl) carbonate has a molecular weight of 329.40 g/mol, XLogP of 4.05, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-ethyl-3-methoxyanilino)ethyl (2-methylphenyl) carbonate is sourced from PubChem (CID 54399203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).