(4-methylphenyl) N'-acetyl-N,N-diethylcarbamimidate

C14H20N2O2 — CID 134917371

IUPAC(4-methylphenyl) N'-acetyl-N,N-diethylcarbamimidate
SMILESCCN(CC)/C(=N\C(C)=O)Oc1ccc(C)cc1
InChIInChI=1S/C14H20N2O2/c1-5-16(6-2)14(15-12(4)17)18-13-9-7-11(3)8-10-13/h7-10H,5-6H2,1-4H3/b15-14+
InChIKeyJTJODIAXJBPOOP-CCEZHUSRSA-N
MW248.33 g/mol
LogP2.62
Rot. Bonds3

About (4-methylphenyl) N'-acetyl-N,N-diethylcarbamimidate

(4-methylphenyl) N'-acetyl-N,N-diethylcarbamimidate (PubChem CID 134917371) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is (4-methylphenyl) N'-acetyl-N,N-diethylcarbamimidate.

Molecular Properties

Compound Name(4-methylphenyl) N'-acetyl-N,N-diethylcarbamimidate
PubChem CID134917371
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name(4-methylphenyl) N'-acetyl-N,N-diethylcarbamimidate
SMILESCCN(CC)/C(=N\C(C)=O)Oc1ccc(C)cc1
InChIInChI=1S/C14H20N2O2/c1-5-16(6-2)14(15-12(4)17)18-13-9-7-11(3)8-10-13/h7-10H,5-6H2,1-4H3/b15-14+
InChIKeyJTJODIAXJBPOOP-CCEZHUSRSA-N
XLogP2.62
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl) N'-acetyl-N,N-diethylcarbamimidate?
The IUPAC name of (4-methylphenyl) N'-acetyl-N,N-diethylcarbamimidate (CID 134917371) is (4-methylphenyl) N'-acetyl-N,N-diethylcarbamimidate.
What is the SMILES notation for (4-methylphenyl) N'-acetyl-N,N-diethylcarbamimidate?
The canonical SMILES for (4-methylphenyl) N'-acetyl-N,N-diethylcarbamimidate is CCN(CC)/C(=N\C(C)=O)Oc1ccc(C)cc1.
What is the InChIKey of (4-methylphenyl) N'-acetyl-N,N-diethylcarbamimidate?
The InChIKey is JTJODIAXJBPOOP-CCEZHUSRSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-5-16(6-2)14(15-12(4)17)18-13-9-7-11(3)8-10-13/h7-10H,5-6H2,1-4H3/b15-14+.
What are the key properties of (4-methylphenyl) N'-acetyl-N,N-diethylcarbamimidate?
(4-methylphenyl) N'-acetyl-N,N-diethylcarbamimidate has a molecular weight of 248.33 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl) N'-acetyl-N,N-diethylcarbamimidate is sourced from PubChem (CID 134917371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).