N-[(2E)-2-methoxyiminopropyl]-N,3,5-trimethylbenzamide

C14H20N2O2 — CID 54424374

IUPACN-[(2E)-2-methoxyiminopropyl]-N,3,5-trimethylbenzamide
SMILESCO/N=C(\C)CN(C)C(=O)c1cc(C)cc(C)c1
InChIInChI=1S/C14H20N2O2/c1-10-6-11(2)8-13(7-10)14(17)16(4)9-12(3)15-18-5/h6-8H,9H2,1-5H3/b15-12+
InChIKeyWDAIHWJMOHMMOP-NTCAYCPXSA-N
MW248.33 g/mol
LogP2.40
Rot. Bonds4

About N-[(2E)-2-methoxyiminopropyl]-N,3,5-trimethylbenzamide

N-[(2E)-2-methoxyiminopropyl]-N,3,5-trimethylbenzamide (PubChem CID 54424374) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is N-[(2E)-2-methoxyiminopropyl]-N,3,5-trimethylbenzamide.

Molecular Properties

Compound NameN-[(2E)-2-methoxyiminopropyl]-N,3,5-trimethylbenzamide
PubChem CID54424374
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC NameN-[(2E)-2-methoxyiminopropyl]-N,3,5-trimethylbenzamide
SMILESCO/N=C(\C)CN(C)C(=O)c1cc(C)cc(C)c1
InChIInChI=1S/C14H20N2O2/c1-10-6-11(2)8-13(7-10)14(17)16(4)9-12(3)15-18-5/h6-8H,9H2,1-5H3/b15-12+
InChIKeyWDAIHWJMOHMMOP-NTCAYCPXSA-N
XLogP2.40
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N-diethyl-m-toluamide
CID 4284
N,N-Diethylbenzamide
CID 15542
N,N-Dibutylbenzamide
CID 32774
Benzamide, N,N,3-trimethyl-
CID 81351
Azepan-1-yl(3-methylphenyl)methanone
CID 247215
N,N-Bis(1-methylethyl)benzamide
CID 88516
N,N-dihexylbenzamide
CID 4577308
1-(3,5-Dimethylbenzoyl)azepane
CID 912590
Benzamide, 4-methyl-N,N-bis(1-methylethyl)-
CID 81352
Benzamide, N,N-dipropyl-
CID 139800
N,N,N',N'-Tetraethylterephthalamide
CID 139931
3-Methyl-N,N-di(propan-2-yl)benzamide
CID 226948

Frequently Asked Questions

What is the IUPAC name of N-[(2E)-2-methoxyiminopropyl]-N,3,5-trimethylbenzamide?
The IUPAC name of N-[(2E)-2-methoxyiminopropyl]-N,3,5-trimethylbenzamide (CID 54424374) is N-[(2E)-2-methoxyiminopropyl]-N,3,5-trimethylbenzamide.
What is the SMILES notation for N-[(2E)-2-methoxyiminopropyl]-N,3,5-trimethylbenzamide?
The canonical SMILES for N-[(2E)-2-methoxyiminopropyl]-N,3,5-trimethylbenzamide is CO/N=C(\C)CN(C)C(=O)c1cc(C)cc(C)c1.
What is the InChIKey of N-[(2E)-2-methoxyiminopropyl]-N,3,5-trimethylbenzamide?
The InChIKey is WDAIHWJMOHMMOP-NTCAYCPXSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-10-6-11(2)8-13(7-10)14(17)16(4)9-12(3)15-18-5/h6-8H,9H2,1-5H3/b15-12+.
What are the key properties of N-[(2E)-2-methoxyiminopropyl]-N,3,5-trimethylbenzamide?
N-[(2E)-2-methoxyiminopropyl]-N,3,5-trimethylbenzamide has a molecular weight of 248.33 g/mol, XLogP of 2.40, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2E)-2-methoxyiminopropyl]-N,3,5-trimethylbenzamide is sourced from PubChem (CID 54424374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).