[(4-methylbenzoyl)amino] propanimidate

C11H14N2O2 — CID 101177941

IUPAC[(4-methylbenzoyl)amino] propanimidate
SMILES[H]/N=C(\CC)ONC(=O)c1ccc(C)cc1
InChIInChI=1S/C11H14N2O2/c1-3-10(12)15-13-11(14)9-6-4-8(2)5-7-9/h4-7,12H,3H2,1-2H3,(H,13,14)/b12-10+
InChIKeyIZRYORAWAJOKIJ-ZRDIBKRKSA-N
MW206.24 g/mol
LogP2.04
Rot. Bonds2

About [(4-methylbenzoyl)amino] propanimidate

[(4-methylbenzoyl)amino] propanimidate (PubChem CID 101177941) has the molecular formula C11H14N2O2 and a molecular weight of 206.24 g/mol. Its IUPAC name is [(4-methylbenzoyl)amino] propanimidate.

Molecular Properties

Compound Name[(4-methylbenzoyl)amino] propanimidate
PubChem CID101177941
Molecular FormulaC11H14N2O2
Molecular Weight206.24 g/mol
Exact Mass206.11
IUPAC Name[(4-methylbenzoyl)amino] propanimidate
SMILES[H]/N=C(\CC)ONC(=O)c1ccc(C)cc1
InChIInChI=1S/C11H14N2O2/c1-3-10(12)15-13-11(14)9-6-4-8(2)5-7-9/h4-7,12H,3H2,1-2H3,(H,13,14)/b12-10+
InChIKeyIZRYORAWAJOKIJ-ZRDIBKRKSA-N
XLogP2.04
TPSA62.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(4-methylbenzoyl)amino] propanimidate?
The IUPAC name of [(4-methylbenzoyl)amino] propanimidate (CID 101177941) is [(4-methylbenzoyl)amino] propanimidate.
What is the SMILES notation for [(4-methylbenzoyl)amino] propanimidate?
The canonical SMILES for [(4-methylbenzoyl)amino] propanimidate is [H]/N=C(\CC)ONC(=O)c1ccc(C)cc1.
What is the InChIKey of [(4-methylbenzoyl)amino] propanimidate?
The InChIKey is IZRYORAWAJOKIJ-ZRDIBKRKSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-3-10(12)15-13-11(14)9-6-4-8(2)5-7-9/h4-7,12H,3H2,1-2H3,(H,13,14)/b12-10+.
What are the key properties of [(4-methylbenzoyl)amino] propanimidate?
[(4-methylbenzoyl)amino] propanimidate has a molecular weight of 206.24 g/mol, XLogP of 2.04, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-methylbenzoyl)amino] propanimidate is sourced from PubChem (CID 101177941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).