N-[4-[acetyl(methyl)amino]phenyl]-4-(methoxyiminomethyl)benzamide

C18H19N3O3 — CID 103598921

IUPACN-[4-[acetyl(methyl)amino]phenyl]-4-(methoxyiminomethyl)benzamide
SMILESCON=Cc1ccc(C(=O)Nc2ccc(N(C)C(C)=O)cc2)cc1
InChIInChI=1S/C18H19N3O3/c1-13(22)21(2)17-10-8-16(9-11-17)20-18(23)15-6-4-14(5-7-15)12-19-24-3/h4-12H,1-3H3,(H,20,23)
InChIKeyBUZNGJGMSMXHQR-UHFFFAOYSA-N
MW325.37 g/mol
LogP2.90
Rot. Bonds5

About N-[4-[acetyl(methyl)amino]phenyl]-4-(methoxyiminomethyl)benzamide

N-[4-[acetyl(methyl)amino]phenyl]-4-(methoxyiminomethyl)benzamide (PubChem CID 103598921) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is N-[4-[acetyl(methyl)amino]phenyl]-4-(methoxyiminomethyl)benzamide.

Molecular Properties

Compound NameN-[4-[acetyl(methyl)amino]phenyl]-4-(methoxyiminomethyl)benzamide
PubChem CID103598921
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC NameN-[4-[acetyl(methyl)amino]phenyl]-4-(methoxyiminomethyl)benzamide
SMILESCON=Cc1ccc(C(=O)Nc2ccc(N(C)C(C)=O)cc2)cc1
InChIInChI=1S/C18H19N3O3/c1-13(22)21(2)17-10-8-16(9-11-17)20-18(23)15-6-4-14(5-7-15)12-19-24-3/h4-12H,1-3H3,(H,20,23)
InChIKeyBUZNGJGMSMXHQR-UHFFFAOYSA-N
XLogP2.90
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[4-[acetyl(methyl)amino]phenyl]-4-methoxybenzamide
CID 730548
N-(3,4-dimethoxyphenyl)-4-[(E)-methoxyiminomethyl]benzamide
CID 134059556
N-(3,5-dimethoxyphenyl)-4-[(E)-methoxyiminomethyl]benzamide
CID 134059612
N-[4-[acetyl(methyl)amino]phenyl]-4-(2-methylpropanoylamino)benzamide
CID 86857816
N-(3-hydroxyphenyl)-4-[(E)-methoxyiminomethyl]benzamide
CID 78783765
N-[4-[acetyl(methyl)amino]phenyl]-4-nitrobenzamide
CID 675941
N-[(4-acetamidophenyl)methylideneamino]-4-(dimethylamino)benzamide
CID 4105739
N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-4-[(E)-methoxyiminomethyl]benzamide
CID 134050707
4-[(E)-methoxyiminomethyl]-N-(1-methylpyrazol-3-yl)benzamide
CID 134026280
N-[4-[acetyl(methyl)amino]phenyl]-3,4,5-triethoxybenzamide
CID 1346461
N-(4-acetamidophenyl)-4-(dimethylamino)benzamide
CID 669679
N-[4-[[(Z)-[4-(dimethylamino)phenyl]methylideneamino]carbamoyl]phenyl]-3,4,5-trimethoxybenzamide
CID 6435593

Frequently Asked Questions

What is the IUPAC name of N-[4-[acetyl(methyl)amino]phenyl]-4-(methoxyiminomethyl)benzamide?
The IUPAC name of N-[4-[acetyl(methyl)amino]phenyl]-4-(methoxyiminomethyl)benzamide (CID 103598921) is N-[4-[acetyl(methyl)amino]phenyl]-4-(methoxyiminomethyl)benzamide.
What is the SMILES notation for N-[4-[acetyl(methyl)amino]phenyl]-4-(methoxyiminomethyl)benzamide?
The canonical SMILES for N-[4-[acetyl(methyl)amino]phenyl]-4-(methoxyiminomethyl)benzamide is CON=Cc1ccc(C(=O)Nc2ccc(N(C)C(C)=O)cc2)cc1.
What is the InChIKey of N-[4-[acetyl(methyl)amino]phenyl]-4-(methoxyiminomethyl)benzamide?
The InChIKey is BUZNGJGMSMXHQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-13(22)21(2)17-10-8-16(9-11-17)20-18(23)15-6-4-14(5-7-15)12-19-24-3/h4-12H,1-3H3,(H,20,23).
What are the key properties of N-[4-[acetyl(methyl)amino]phenyl]-4-(methoxyiminomethyl)benzamide?
N-[4-[acetyl(methyl)amino]phenyl]-4-(methoxyiminomethyl)benzamide has a molecular weight of 325.37 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[acetyl(methyl)amino]phenyl]-4-(methoxyiminomethyl)benzamide is sourced from PubChem (CID 103598921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).