N-ethoxyformamide;ethyl (4-methylphenyl) carbonate

C13H19NO5 — CID 146420977

IUPACN-ethoxyformamide;ethyl (4-methylphenyl) carbonate
SMILESCCOC(=O)Oc1ccc(C)cc1.CCONC=O
InChIInChI=1S/C10H12O3.C3H7NO2/c1-3-12-10(11)13-9-6-4-8(2)5-7-9;1-2-6-4-3-5/h4-7H,3H2,1-2H3;3H,2H2,1H3,(H,4,5)
InChIKeySJBKFAKMUCDSMJ-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.21
Rot. Bonds5

About N-ethoxyformamide;ethyl (4-methylphenyl) carbonate

N-ethoxyformamide;ethyl (4-methylphenyl) carbonate (PubChem CID 146420977) has the molecular formula C13H19NO5 and a molecular weight of 269.30 g/mol. Its IUPAC name is N-ethoxyformamide;ethyl (4-methylphenyl) carbonate.

Molecular Properties

Compound NameN-ethoxyformamide;ethyl (4-methylphenyl) carbonate
PubChem CID146420977
Molecular FormulaC13H19NO5
Molecular Weight269.30 g/mol
Exact Mass269.13
IUPAC NameN-ethoxyformamide;ethyl (4-methylphenyl) carbonate
SMILESCCOC(=O)Oc1ccc(C)cc1.CCONC=O
InChIInChI=1S/C10H12O3.C3H7NO2/c1-3-12-10(11)13-9-6-4-8(2)5-7-9;1-2-6-4-3-5/h4-7H,3H2,1-2H3;3H,2H2,1H3,(H,4,5)
InChIKeySJBKFAKMUCDSMJ-UHFFFAOYSA-N
XLogP2.21
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phenyl_carbonate', 'substructure': 'N/A'}

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Related Compounds

ethyl [4-[[4-[(4-methylbenzoyl)amino]phenyl]carbamoyl]phenyl] carbonate
CID 108930551
hydroxy (4-methylphenyl) carbonate
CID 142152558
bis(4-methylphenyl) carbonate;ethane
CID 145416039
(4-methylphenyl) 2-sulfanylethyl carbonate
CID 166767633
ethyl [4-[4-(2-hydroxyethoxy)phenyl]phenyl] carbonate
CID 23213034
[4-(4-chlorophenoxy)phenyl] ethyl carbonate
CID 146594129
ethyl [4-(2-hydroxyethyl)phenyl] carbonate
CID 121224839
ethyl [4-(methylcarbamoylamino)phenyl] carbonate
CID 108865616
ethyl [4-[2-[[2-(4-methylphenoxy)acetyl]amino]ethylcarbamoyl]phenyl] carbonate
CID 108929834
(3,4-dimethylphenyl) ethyl carbonate
CID 19704470
2-ethoxycarbonyloxyethyl ethyl carbonate;1,4-xylene
CID 20503523
benzyl (4-methylphenyl) carbonate
CID 118690287

Frequently Asked Questions

What is the IUPAC name of N-ethoxyformamide;ethyl (4-methylphenyl) carbonate?
The IUPAC name of N-ethoxyformamide;ethyl (4-methylphenyl) carbonate (CID 146420977) is N-ethoxyformamide;ethyl (4-methylphenyl) carbonate.
What is the SMILES notation for N-ethoxyformamide;ethyl (4-methylphenyl) carbonate?
The canonical SMILES for N-ethoxyformamide;ethyl (4-methylphenyl) carbonate is CCOC(=O)Oc1ccc(C)cc1.CCONC=O.
What is the InChIKey of N-ethoxyformamide;ethyl (4-methylphenyl) carbonate?
The InChIKey is SJBKFAKMUCDSMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O3.C3H7NO2/c1-3-12-10(11)13-9-6-4-8(2)5-7-9;1-2-6-4-3-5/h4-7H,3H2,1-2H3;3H,2H2,1H3,(H,4,5).
What are the key properties of N-ethoxyformamide;ethyl (4-methylphenyl) carbonate?
N-ethoxyformamide;ethyl (4-methylphenyl) carbonate has a molecular weight of 269.30 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethoxyformamide;ethyl (4-methylphenyl) carbonate is sourced from PubChem (CID 146420977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).