ethyl 2-methyl-1-[(4-methylphenyl)methyl]diazete-3-carboxylate

C14H18N2O2 — CID 170746116

IUPACethyl 2-methyl-1-[(4-methylphenyl)methyl]diazete-3-carboxylate
SMILESCCOC(=O)c1cn(Cc2ccc(C)cc2)n1C
InChIInChI=1S/C14H18N2O2/c1-4-18-14(17)13-10-16(15(13)3)9-12-7-5-11(2)6-8-12/h5-8,10H,4,9H2,1-3H3
InChIKeyNYFVPJJYZSBEBW-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.36
Rot. Bonds4

About ethyl 2-methyl-1-[(4-methylphenyl)methyl]diazete-3-carboxylate

ethyl 2-methyl-1-[(4-methylphenyl)methyl]diazete-3-carboxylate (PubChem CID 170746116) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is ethyl 2-methyl-1-[(4-methylphenyl)methyl]diazete-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-methyl-1-[(4-methylphenyl)methyl]diazete-3-carboxylate
PubChem CID170746116
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Nameethyl 2-methyl-1-[(4-methylphenyl)methyl]diazete-3-carboxylate
SMILESCCOC(=O)c1cn(Cc2ccc(C)cc2)n1C
InChIInChI=1S/C14H18N2O2/c1-4-18-14(17)13-10-16(15(13)3)9-12-7-5-11(2)6-8-12/h5-8,10H,4,9H2,1-3H3
InChIKeyNYFVPJJYZSBEBW-UHFFFAOYSA-N
XLogP2.36
TPSA36.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-1-[(4-methylphenyl)methyl]diazete-3-carboxylate?
The IUPAC name of ethyl 2-methyl-1-[(4-methylphenyl)methyl]diazete-3-carboxylate (CID 170746116) is ethyl 2-methyl-1-[(4-methylphenyl)methyl]diazete-3-carboxylate.
What is the SMILES notation for ethyl 2-methyl-1-[(4-methylphenyl)methyl]diazete-3-carboxylate?
The canonical SMILES for ethyl 2-methyl-1-[(4-methylphenyl)methyl]diazete-3-carboxylate is CCOC(=O)c1cn(Cc2ccc(C)cc2)n1C.
What is the InChIKey of ethyl 2-methyl-1-[(4-methylphenyl)methyl]diazete-3-carboxylate?
The InChIKey is NYFVPJJYZSBEBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-4-18-14(17)13-10-16(15(13)3)9-12-7-5-11(2)6-8-12/h5-8,10H,4,9H2,1-3H3.
What are the key properties of ethyl 2-methyl-1-[(4-methylphenyl)methyl]diazete-3-carboxylate?
ethyl 2-methyl-1-[(4-methylphenyl)methyl]diazete-3-carboxylate has a molecular weight of 246.31 g/mol, XLogP of 2.36, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-1-[(4-methylphenyl)methyl]diazete-3-carboxylate is sourced from PubChem (CID 170746116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).