1-[N-(1-methoxyethyl)anilino]ethyl phenyl carbonate

C18H21NO4 — CID 21419953

IUPAC1-[N-(1-methoxyethyl)anilino]ethyl phenyl carbonate
SMILESCOC(C)N(c1ccccc1)C(C)OC(=O)Oc1ccccc1
InChIInChI=1S/C18H21NO4/c1-14(21-3)19(16-10-6-4-7-11-16)15(2)22-18(20)23-17-12-8-5-9-13-17/h4-15H,1-3H3
InChIKeyXXHDYRXTDIJAMS-UHFFFAOYSA-N
MW315.37 g/mol
LogP4.05
Rot. Bonds6

About 1-[N-(1-methoxyethyl)anilino]ethyl phenyl carbonate

1-[N-(1-methoxyethyl)anilino]ethyl phenyl carbonate (PubChem CID 21419953) has the molecular formula C18H21NO4 and a molecular weight of 315.37 g/mol. Its IUPAC name is 1-[N-(1-methoxyethyl)anilino]ethyl phenyl carbonate.

Molecular Properties

Compound Name1-[N-(1-methoxyethyl)anilino]ethyl phenyl carbonate
PubChem CID21419953
Molecular FormulaC18H21NO4
Molecular Weight315.37 g/mol
Exact Mass315.15
IUPAC Name1-[N-(1-methoxyethyl)anilino]ethyl phenyl carbonate
SMILESCOC(C)N(c1ccccc1)C(C)OC(=O)Oc1ccccc1
InChIInChI=1S/C18H21NO4/c1-14(21-3)19(16-10-6-4-7-11-16)15(2)22-18(20)23-17-12-8-5-9-13-17/h4-15H,1-3H3
InChIKeyXXHDYRXTDIJAMS-UHFFFAOYSA-N
XLogP4.05
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phenyl_carbonate', 'substructure': 'N/A'}

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Related Compounds

1-(N-methylanilino)ethyl (4-methylphenyl) carbonate
CID 70631980
1-(3-ethoxy-N-methylanilino)ethyl phenyl carbonate
CID 70631943
dimethyl carbonate;methyl phenyl carbonate
CID 70311897
ethane;methyl phenyl carbonate
CID 91113838
(3-chlorophenyl) 1-(N-methylanilino)ethyl carbonate
CID 70632052
phenyl (2S)-2-methoxypropanoate
CID 12621314
1-(N-ethylanilino)butyl phenyl carbonate
CID 70632036
[4-(benzenesulfonyl)phenyl] 1-(N-ethylanilino)ethyl carbonate
CID 70632289
methyl (4-phenoxyphenyl) carbonate
CID 19704468
tert-butyl (2S)-2-phenoxycarbonyloxypropanoate
CID 177161092
1-(N-ethylanilino)ethyl [4-(2,4,4-trimethylpentan-2-yl)phenyl] carbonate
CID 21420364
phenyl 1,2,2-trichloroethyl carbonate
CID 175415012

Frequently Asked Questions

What is the IUPAC name of 1-[N-(1-methoxyethyl)anilino]ethyl phenyl carbonate?
The IUPAC name of 1-[N-(1-methoxyethyl)anilino]ethyl phenyl carbonate (CID 21419953) is 1-[N-(1-methoxyethyl)anilino]ethyl phenyl carbonate.
What is the SMILES notation for 1-[N-(1-methoxyethyl)anilino]ethyl phenyl carbonate?
The canonical SMILES for 1-[N-(1-methoxyethyl)anilino]ethyl phenyl carbonate is COC(C)N(c1ccccc1)C(C)OC(=O)Oc1ccccc1.
What is the InChIKey of 1-[N-(1-methoxyethyl)anilino]ethyl phenyl carbonate?
The InChIKey is XXHDYRXTDIJAMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO4/c1-14(21-3)19(16-10-6-4-7-11-16)15(2)22-18(20)23-17-12-8-5-9-13-17/h4-15H,1-3H3.
What are the key properties of 1-[N-(1-methoxyethyl)anilino]ethyl phenyl carbonate?
1-[N-(1-methoxyethyl)anilino]ethyl phenyl carbonate has a molecular weight of 315.37 g/mol, XLogP of 4.05, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[N-(1-methoxyethyl)anilino]ethyl phenyl carbonate is sourced from PubChem (CID 21419953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).