4-(2-amino-2-oxoethoxy)-N-[(2,4,6-trimethylphenyl)methylideneamino]benzamide

C19H21N3O3 — CID 3265840

IUPAC4-(2-amino-2-oxoethoxy)-N-[(2,4,6-trimethylphenyl)methylideneamino]benzamide
SMILESCc1cc(C)c(C=NNC(=O)c2ccc(OCC(N)=O)cc2)c(C)c1
InChIInChI=1S/C19H21N3O3/c1-12-8-13(2)17(14(3)9-12)10-21-22-19(24)15-4-6-16(7-5-15)25-11-18(20)23/h4-10H,11H2,1-3H3,(H2,20,23)(H,22,24)
InChIKeyUAVUUGYXXHBHIY-UHFFFAOYSA-N
MW339.40 g/mol
LogP2.24
Rot. Bonds6

About 4-(2-amino-2-oxoethoxy)-N-[(2,4,6-trimethylphenyl)methylideneamino]benzamide

4-(2-amino-2-oxoethoxy)-N-[(2,4,6-trimethylphenyl)methylideneamino]benzamide (PubChem CID 3265840) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is 4-(2-amino-2-oxoethoxy)-N-[(2,4,6-trimethylphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-(2-amino-2-oxoethoxy)-N-[(2,4,6-trimethylphenyl)methylideneamino]benzamide
PubChem CID3265840
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Name4-(2-amino-2-oxoethoxy)-N-[(2,4,6-trimethylphenyl)methylideneamino]benzamide
SMILESCc1cc(C)c(C=NNC(=O)c2ccc(OCC(N)=O)cc2)c(C)c1
InChIInChI=1S/C19H21N3O3/c1-12-8-13(2)17(14(3)9-12)10-21-22-19(24)15-4-6-16(7-5-15)25-11-18(20)23/h4-10H,11H2,1-3H3,(H2,20,23)(H,22,24)
InChIKeyUAVUUGYXXHBHIY-UHFFFAOYSA-N
XLogP2.24
TPSA93.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.24
H-Bond Donors ≤ 52
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-[(E)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-4-methoxybenzamide
CID 6874443
N-[(E)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-4-fluorobenzamide
CID 96885337
N-[[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-4-phenylbenzamide
CID 24819612
4-phenyl-N-[(Z)-(2,4,6-trimethylphenyl)methylideneamino]benzamide
CID 6132987
2-phenoxy-N-[(E)-(2,4,6-trimethylphenyl)methylideneamino]acetamide
CID 5331243
N-[(Z)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-3-methoxybenzamide
CID 5412030
ethyl 2-[3-[(E)-[(4-ethoxybenzoyl)hydrazinylidene]methyl]phenoxy]acetate
CID 17246379
4-(2-amino-2-oxoethoxy)-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]benzamide
CID 3828860
N-[(E)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-3-methoxy-4-propoxybenzamide
CID 126322296
2-(3-methylphenoxy)-N-[(2,4,6-trimethylphenyl)methylideneamino]acetamide
CID 968480
4-ethoxy-N-[(4-methylphenyl)methylideneamino]benzamide
CID 4249365
2-methyl-N-[4-[[(2,4,6-trimethylphenyl)methylideneamino]carbamoyl]phenyl]benzamide
CID 3376592

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-2-oxoethoxy)-N-[(2,4,6-trimethylphenyl)methylideneamino]benzamide?
The IUPAC name of 4-(2-amino-2-oxoethoxy)-N-[(2,4,6-trimethylphenyl)methylideneamino]benzamide (CID 3265840) is 4-(2-amino-2-oxoethoxy)-N-[(2,4,6-trimethylphenyl)methylideneamino]benzamide.
What is the SMILES notation for 4-(2-amino-2-oxoethoxy)-N-[(2,4,6-trimethylphenyl)methylideneamino]benzamide?
The canonical SMILES for 4-(2-amino-2-oxoethoxy)-N-[(2,4,6-trimethylphenyl)methylideneamino]benzamide is Cc1cc(C)c(C=NNC(=O)c2ccc(OCC(N)=O)cc2)c(C)c1.
What is the InChIKey of 4-(2-amino-2-oxoethoxy)-N-[(2,4,6-trimethylphenyl)methylideneamino]benzamide?
The InChIKey is UAVUUGYXXHBHIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-12-8-13(2)17(14(3)9-12)10-21-22-19(24)15-4-6-16(7-5-15)25-11-18(20)23/h4-10H,11H2,1-3H3,(H2,20,23)(H,22,24).
What are the key properties of 4-(2-amino-2-oxoethoxy)-N-[(2,4,6-trimethylphenyl)methylideneamino]benzamide?
4-(2-amino-2-oxoethoxy)-N-[(2,4,6-trimethylphenyl)methylideneamino]benzamide has a molecular weight of 339.40 g/mol, XLogP of 2.24, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-2-oxoethoxy)-N-[(2,4,6-trimethylphenyl)methylideneamino]benzamide is sourced from PubChem (CID 3265840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).